Coenzyme A

Identification

Generic Name

Coenzyme A

DrugBank Accession Number

DB01992

Background

Coenzyme A (CoA, CoASH, or HSCoA) is a coenzyme, well known for it's role in the synthesis and oxidation of fatty acids, and the oxidation of pyruvate in the citric acid cycle. All genomes sequenced to date encode enzymes that use coenzyme A as a substrate, and around 4% of cellular enzymes use it, or a thioester form of it, as a substrate. It is used as a supplement for the hypothetical treatment of acne.

Type

Small Molecule

Groups

Investigational, Nutraceutical

Structure

Similar Structures

Weight: Average: 767.534
Monoisotopic: 767.115208365
Chemical Formula: C₂₁H₃₆N₇O₁₆P₃S

Synonyms

3'-phosphoadenosine-(5')diphospho(4')pantatheine
CoA
CoA-SH
CoASH
HSCoA

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings

Avoid life-threatening adverse drug events

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Avoid life-threatening adverse drug events & improve clinical decision support.

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Pharmacodynamics

Not Available

Mechanism of action

Target	Actions	Organism
UGalactoside O-acetyltransferase	Not Available	Escherichia coli (strain K12)
U3-hydroxy-3-methylglutaryl-coenzyme A reductase	Not Available	Humans
UFatty acid metabolism regulator protein	Not Available	Shigella flexneri
UHistone acetyltransferase KAT5	Not Available	Humans
U2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase	Not Available	Unknown prokaryotic organism
UAcetyl-CoA acetyltransferase, cytosolic	Not Available	Humans
UAcetyl-CoA acetyltransferase	Not Available	Zoogloea ramigera
UStreptogramin A acetyltransferase	Not Available	Enterococcus faecium
UCitrate synthase, mitochondrial	Not Available	Humans
U3-oxoacyl-[acyl-carrier-protein] synthase 3	Not Available	Escherichia coli (strain K12)
UFormyl-coenzyme A transferase	Not Available	Oxalobacter formigenes
UDihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex	Not Available	Azotobacter vinelandii
UPantothenate kinase	Not Available	Escherichia coli (strain K12)
UAcetyl-coenzyme A synthetase	Not Available	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
UAcyl-CoA-binding protein	Not Available	Humans
UFormyl-coenzyme A transferase	Not Available	Shigella flexneri
UCarnitine O-acetyltransferase	Not Available	Humans
UCrotonobetainyl-CoA:carnitine CoA-transferase	Not Available	Escherichia coli (strain K12)
UFormate acetyltransferase 1	Not Available	Escherichia coli (strain K12)
UMalate synthase G	Not Available	Mycobacterium tuberculosis
U3-hydroxy-3-methylglutaryl-coenzyme A reductase	Not Available	Pseudomonas mevalonii
UPhosphopantetheine adenylyltransferase	Not Available	Shigella flexneri
UHolo-[acyl-carrier-protein] synthase	Not Available	Bacillus subtilis (strain 168)
UProtease synthase and sporulation negative regulatory protein PAI 1	Not Available	Bacillus subtilis (strain 168)
UGentamicin 3'-acetyltransferase	Not Available	Pseudomonas aeruginosa
UBifunctional protein GlmU	Not Available	Escherichia coli (strain K12)
UAcetyl transferase	Not Available	Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
UUncharacterized N-acetyltransferase YvbK	Not Available	Bacillus subtilis (strain 168)
UAminoglycoside N(6')-acetyltransferase type 1	Not Available	Salmonella enteritidis
UAcyl-CoA hydrolase	Not Available	Bacillus cereus (strain ATCC 14579 / DSM 31)
UUncharacterized acyl-CoA thioester hydrolase HI_0827	Not Available	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
U3-oxoacyl-[acyl-carrier-protein] synthase 3	Not Available	Streptomyces lividans
UMycothiol acetyltransferase	Not Available	Mycobacterium tuberculosis
UHistone acetyltransferase KAT2A	Not Available	Humans
UAcyl-CoA hydrolase	Not Available	Bacillus halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)
UHistone acetyltransferase KAT2B	Not Available	Humans
U1,4-Dihydroxy-2-naphthoyl-CoA synthase	Not Available	Mycobacterium tuberculosis
UCitrate synthase	Not Available	Thermus thermophilus
UAminoglycoside 2'-N-acetyltransferase	Not Available	Mycobacterium tuberculosis
UAac(6')-Ii protein	Not Available	Enterococcus faecium
U4'-phosphopantetheinyl transferase sfp	Not Available	Bacillus subtilis (strain 168)
UUncharacterized protein	Not Available	Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
USerine acetyltransferase	Not Available	Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
UCitrate synthase	Not Available	Antarctic bacterium DS2-3R
U4-hydroxybenzoyl-CoA thioesterase	Not Available	Arthrobacter sp.

Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism

Not Available

Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects

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Toxicity

Not Available

Pathways

Not Available

Pharmacogenomic Effects/ADRs

Not Available

Interactions

Drug Interactions: This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions: Not Available

Chemical Identifiers

UNII: SAA04E81UX
CAS number: 85-61-0
InChI Key: RGJOEKWQDUBAIZ-IBOSZNHHSA-N
InChI: InChI=1S/C21H36N7O16P3S/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1
IUPAC Name: {[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-2-({[hydroxy({hydroxy[(3R)-3-hydroxy-2,2-dimethyl-3-({2-[(2-sulfanylethyl)carbamoyl]ethyl}carbamoyl)propoxy]phosphoryl}oxy)phosphoryl]oxy}methyl)oxolan-3-yl]oxy}phosphonic acid
SMILES: CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)N1C=NC2=C1N=CN=C2N)[C@@H](O)C(=O)NCCC(=O)NCCS

References

Synthesis Reference

Shigeru Ikuta, Shigeyuki Imamura, Hidehiko Ishikawa, Kazuo Matsuura, Masaki Takada, Hideo Misaki, "Process for the production of acyl-Coenzyme A oxidase." U.S. Patent US4346173, issued September, 1980.

US4346173

General References

Not Available

External Links

Human Metabolome Database: HMDB0001423
KEGG Compound: C00010
PubChem Compound: 87642
PubChem Substance: 46507023
ChemSpider: 79067
BindingDB: 50367033
RxNav: 1314344
ChEBI: 15346
ChEMBL: CHEMBL1213327
ZINC: ZINC000008551087
PDBe Ligand: COA
Wikipedia: Coenzyme_A

PDB Entries

1a59 / 1aca / 1aj8 / 1bo4 / 1bq6 / 1cm0 / 1cqi / 1cqj / 1d6h / 1dlv …

show 684 more

Clinical Trials

Clinical Trials

Phase	Status	Purpose	Conditions	Count
4	Recruiting	Treatment	Instent Restenosis / Major Adverse Cardiovascular Events	1
3	Completed	Treatment	Hyperlipoproteinemias	2
3	Recruiting	Treatment	Stenoses, Aortic	1
2	Completed	Treatment	Hyperlipoproteinemias	1
2, 3	Unknown Status	Treatment	Hyperlipoproteinemias	1
1, 2	Recruiting	Treatment	Castration Resistant Prostate Cancer	1

Pharmacoeconomics

Manufacturers: Not Available
Packagers: Not Available
Dosage Forms: Not Available
Prices: Not Available
Patents: Not Available

Properties

State

Solid

Experimental Properties

Not Available

Predicted Properties

Property	Value	Source
Water Solubility	4.64 mg/mL	ALOGPS
logP	-0.61	ALOGPS
logP	-5.9	Chemaxon
logS	-2.2	ALOGPS
pKa (Strongest Acidic)	0.83	Chemaxon
pKa (Strongest Basic)	4.89	Chemaxon
Physiological Charge	-4	Chemaxon
Hydrogen Acceptor Count	16	Chemaxon
Hydrogen Donor Count	10	Chemaxon
Polar Surface Area	346.56 Å²	Chemaxon
Rotatable Bond Count	18	Chemaxon
Refractivity	162.74 m³·mol^-1	Chemaxon
Polarizability	66.08 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	0	Chemaxon
Rule of Five	No	Chemaxon
Ghose Filter	No	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	Yes	Chemaxon

Predicted ADMET Features

Property	Value	Probability
Human Intestinal Absorption	+	0.7401
Blood Brain Barrier	-	0.7907
Caco-2 permeable	-	0.7208
P-glycoprotein substrate	Substrate	0.76
P-glycoprotein inhibitor I	Non-inhibitor	0.6842
P-glycoprotein inhibitor II	Non-inhibitor	0.9863
Renal organic cation transporter	Non-inhibitor	0.9581
CYP450 2C9 substrate	Non-substrate	0.8266
CYP450 2D6 substrate	Non-substrate	0.7883
CYP450 3A4 substrate	Substrate	0.5836
CYP450 1A2 substrate	Non-inhibitor	0.8318
CYP450 2C9 inhibitor	Non-inhibitor	0.8355
CYP450 2D6 inhibitor	Non-inhibitor	0.842
CYP450 2C19 inhibitor	Non-inhibitor	0.8115
CYP450 3A4 inhibitor	Non-inhibitor	0.8203
CYP450 inhibitory promiscuity	Low CYP Inhibitory Promiscuity	0.9333
Ames test	Non AMES toxic	0.667
Carcinogenicity	Non-carcinogens	0.8271
Biodegradation	Not ready biodegradable	1.0
Rat acute toxicity	2.6158 LD50, mol/kg	Not applicable
hERG inhibition (predictor I)	Weak inhibitor	0.944
hERG inhibition (predictor II)	Non-inhibitor	0.6083

ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)

Not Available

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	Not Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	Not Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	Not Available

Targets

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insights and accelerate drug research.

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Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.

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Details1. Galactoside O-acetyltransferase

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Galactoside o-acetyltransferase activity
Specific Function: May assist cellular detoxification by acetylating non-metabolizable pyranosides, thereby preventing their reentry into the cell.
Gene Name: lacA
Uniprot ID: P07464
Uniprot Name: Galactoside O-acetyltransferase
Molecular Weight: 22798.89 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details2. 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Nadph binding
Specific Function: Transmembrane glycoprotein that is the rate-limiting enzyme in cholesterol biosynthesis as well as in the biosynthesis of nonsterol isoprenoids that are essential for normal cell function including...
Gene Name: HMGCR
Uniprot ID: P04035
Uniprot Name: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Molecular Weight: 97475.155 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details3. Fatty acid metabolism regulator protein

Kind: Protein
Organism: Shigella flexneri
Pharmacological action: Unknown

General Function: Transcription factor activity, sequence-specific dna binding
Specific Function: Multifunctional regulator of fatty acid metabolism.
Gene Name: fadR
Uniprot ID: P0A8V9
Uniprot Name: Fatty acid metabolism regulator protein
Molecular Weight: 26968.35 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details4. Histone acetyltransferase KAT5

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Transcription coactivator activity
Specific Function: Catalytic subunit of the NuA4 histone acetyltransferase complex which is involved in transcriptional activation of select genes principally by acetylation of nucleosomal histones H4 and H2A. This m...
Gene Name: KAT5
Uniprot ID: Q92993
Uniprot Name: Histone acetyltransferase KAT5
Molecular Weight: 58581.45 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Details5. 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase

Kind: Protein
Organism: Unknown prokaryotic organism
Pharmacological action: Unknown

General Function: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate n-succinyltransferase activity
Specific Function: Not Available
Gene Name: dapD
Uniprot ID: P56220
Uniprot Name: 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase
Molecular Weight: 29886.885 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details6. Acetyl-CoA acetyltransferase, cytosolic

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Acetyl-coa c-acetyltransferase activity
Specific Function: Not Available
Gene Name: ACAT2
Uniprot ID: Q9BWD1
Uniprot Name: Acetyl-CoA acetyltransferase, cytosolic
Molecular Weight: 41350.5 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details7. Acetyl-CoA acetyltransferase

Kind: Protein
Organism: Zoogloea ramigera
Pharmacological action: Unknown

General Function: Acetyl-coa c-acetyltransferase activity
Specific Function: Not Available
Gene Name: phbA
Uniprot ID: P07097
Uniprot Name: Acetyl-CoA acetyltransferase
Molecular Weight: 40472.955 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details8. Streptogramin A acetyltransferase

Kind: Protein
Organism: Enterococcus faecium
Pharmacological action: Unknown

General Function: Transferase activity, transferring acyl groups
Specific Function: Inactivates the A compounds of streptogramin antibiotics by acetylation, thus providing resistance to these antibiotics.
Gene Name: vatD
Uniprot ID: P50870
Uniprot Name: Streptogramin A acetyltransferase
Molecular Weight: 23649.22 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details9. Citrate synthase, mitochondrial

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Poly(a) rna binding
Specific Function: Not Available
Gene Name: CS
Uniprot ID: O75390
Uniprot Name: Citrate synthase, mitochondrial
Molecular Weight: 51712.025 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Details10. 3-oxoacyl-[acyl-carrier-protein] synthase 3

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Beta-ketoacyl-acyl-carrier-protein synthase iii activity
Specific Function: Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Catalyzes the first condensation reaction which initiates fatty acid...
Gene Name: fabH
Uniprot ID: P0A6R0
Uniprot Name: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Molecular Weight: 33514.78 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details11. Formyl-coenzyme A transferase

Kind: Protein
Organism: Oxalobacter formigenes
Pharmacological action: Unknown

General Function: Formyl-coa transferase activity
Specific Function: Involved in the catabolism of oxalate and in the adapatation to low pH via the induction of the oxalate-dependent acid tolerance response (ATR). Essential enzyme for the bacterium survival, as it r...
Gene Name: frc
Uniprot ID: O06644
Uniprot Name: Formyl-CoA:oxalate CoA-transferase
Molecular Weight: 47326.775 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details12. Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex

Kind: Protein
Organism: Azotobacter vinelandii
Pharmacological action: Unknown

General Function: Dihydrolipoyllysine-residue acetyltransferase activity
Specific Function: The pyruvate dehydrogenase complex catalyzes the overall conversion of pyruvate to acetyl-CoA and CO(2). It contains multiple copies of three enzymatic components: pyruvate dehydrogenase (E1), dihy...
Gene Name: Not Available
Uniprot ID: P10802
Uniprot Name: Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex
Molecular Weight: 65044.135 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details13. Pantothenate kinase

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Pantothenate kinase activity
Specific Function: Not Available
Gene Name: coaA
Uniprot ID: P0A6I3
Uniprot Name: Pantothenate kinase
Molecular Weight: 36359.435 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details14. Acetyl-coenzyme A synthetase

Kind: Protein
Organism: Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Pharmacological action: Unknown

General Function: Metal ion binding
Specific Function: Catalyzes the conversion of acetate into acetyl-CoA (AcCoA), an essential intermediate at the junction of anabolic and catabolic pathways. Acs undergoes a two-step reaction. In the first half react...
Gene Name: acs
Uniprot ID: Q8ZKF6
Uniprot Name: Acetyl-coenzyme A synthetase
Molecular Weight: 72152.085 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details15. Acyl-CoA-binding protein

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Protein dimerization activity
Specific Function: Binds medium- and long-chain acyl-CoA esters with very high affinity and may function as an intracellular carrier of acyl-CoA esters. It is also able to displace diazepam from the benzodiazepine (B...
Gene Name: DBI
Uniprot ID: P07108
Uniprot Name: Acyl-CoA-binding protein
Molecular Weight: 10044.37 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Details16. Formyl-coenzyme A transferase

Kind: Protein
Organism: Shigella flexneri
Pharmacological action: Unknown

General Function: Formyl-coa transferase activity
Specific Function: Involved in the catabolism of oxalate and in the adapatation to low pH via the induction of the oxalate-dependent acid tolerance response (ATR). Catalyzes the transfer of the CoA moiety from formyl...
Gene Name: frc
Uniprot ID: P69903
Uniprot Name: Formyl-CoA:oxalate CoA-transferase
Molecular Weight: 45827.825 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details17. Carnitine O-acetyltransferase

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Receptor binding
Specific Function: Carnitine acetylase is specific for short chain fatty acids. Carnitine acetylase seems to affect the flux through the pyruvate dehydrogenase complex. It may be involved as well in the transport of ...
Gene Name: CRAT
Uniprot ID: P43155
Uniprot Name: Carnitine O-acetyltransferase
Molecular Weight: 70857.055 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]
Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Details18. Crotonobetainyl-CoA:carnitine CoA-transferase

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Coa-transferase activity
Specific Function: Catalyzes the reversible transfer of the CoA moiety from gamma-butyrobetainyl-CoA to L-carnitine to generate L-carnitinyl-CoA and gamma-butyrobetaine. Is also able to catalyze the reversible transf...
Gene Name: caiB
Uniprot ID: P31572
Uniprot Name: L-carnitine CoA-transferase
Molecular Weight: 45126.41 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details19. Formate acetyltransferase 1

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Formate c-acetyltransferase activity
Specific Function: Not Available
Gene Name: pflB
Uniprot ID: P09373
Uniprot Name: Formate acetyltransferase 1
Molecular Weight: 85356.555 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details20. Malate synthase G

Kind: Protein
Organism: Mycobacterium tuberculosis
Pharmacological action: Unknown

General Function: Involved in the glycolate utilization. Catalyzes the condensation and subsequent hydrolysis of acetyl-coenzyme A (acetyl-CoA) and glyoxylate to form malate and CoA.
Specific Function: Coenzyme binding
Gene Name: glcB
Uniprot ID: P9WK17
Uniprot Name: Malate synthase G
Molecular Weight: 80402.24 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details21. 3-hydroxy-3-methylglutaryl-coenzyme A reductase

Kind: Protein
Organism: Pseudomonas mevalonii
Pharmacological action: Unknown

General Function: Hydroxymethylglutaryl-coa reductase activity
Specific Function: P.mevalonii can use mevalonate as sole carbon source. With this enzyme mevalonate is deacetylated to HMG-CoA.
Gene Name: mvaA
Uniprot ID: P13702
Uniprot Name: 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Molecular Weight: 45589.915 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details22. Phosphopantetheine adenylyltransferase

Kind: Protein
Organism: Shigella flexneri
Pharmacological action: Unknown

General Function: Pantetheine-phosphate adenylyltransferase activity
Specific Function: Reversibly transfers an adenylyl group from ATP to 4'-phosphopantetheine, yielding dephospho-CoA (dPCoA) and pyrophosphate.
Gene Name: coaD
Uniprot ID: P0A6I8
Uniprot Name: Phosphopantetheine adenylyltransferase
Molecular Weight: 17836.51 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details23. Holo-[acyl-carrier-protein] synthase

Kind: Protein
Organism: Bacillus subtilis (strain 168)
Pharmacological action: Unknown

General Function: Magnesium ion binding
Specific Function: Transfers the 4'-phosphopantetheine moiety from coenzyme A to a Ser of fatty acid acyl-carrier-protein ACP. Also modifies the D-alanyl carrier protein but fails to recognize PCP and AcpK, an acyl c...
Gene Name: acpS
Uniprot ID: P96618
Uniprot Name: Holo-[acyl-carrier-protein] synthase
Molecular Weight: 13717.63 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details24. Protease synthase and sporulation negative regulatory protein PAI 1

Kind: Protein
Organism: Bacillus subtilis (strain 168)
Pharmacological action: Unknown

General Function: Diamine n-acetyltransferase activity
Specific Function: Involved in the protection against polyamine toxicity by regulating their concentration. Also could be involved in the negative control of sporulation as well as production of degradative enzymes s...
Gene Name: paiA
Uniprot ID: P21340
Uniprot Name: Spermidine/spermine N(1)-acetyltransferase
Molecular Weight: 20014.605 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details25. Gentamicin 3'-acetyltransferase

Kind: Protein
Organism: Pseudomonas aeruginosa
Pharmacological action: Unknown

General Function: Aminoglycoside 3-n-acetyltransferase activity
Specific Function: Responsible for gentamicin resistance and has a limited substrate range.
Gene Name: aacC1
Uniprot ID: P23181
Uniprot Name: Gentamicin 3-N-acetyltransferase
Molecular Weight: 19441.81 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details26. Bifunctional protein GlmU

Kind: Protein
Organism: Escherichia coli (strain K12)
Pharmacological action: Unknown

General Function: Udp-n-acetylglucosamine diphosphorylase activity
Specific Function: Catalyzes the last two sequential reactions in the de novo biosynthetic pathway for UDP-N-acetylglucosamine (UDP-GlcNAc). The C-terminal domain catalyzes the transfer of acetyl group from acetyl co...
Gene Name: glmU
Uniprot ID: P0ACC7
Uniprot Name: Bifunctional protein GlmU
Molecular Weight: 49189.765 Da

References

Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [Article]

Details27. Acetyl transferase

Kind: Protein
Organism: Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
Pharmacological action: Unknown

General Function: N-acetyltransferase activity
Specific Function: Not Available
Gene Name: rimL
Uniprot ID: Q8ZPC0
Uniprot Name: Acetyl transferase
Molecular Weight: 20605.37 Da

Details28. Uncharacterized N-acetyltransferase YvbK

Kind: Protein
Organism: Bacillus subtilis (strain 168)
Pharmacological action: Unknown

General Function: N-acetyltransferase activity
Specific Function: Probable N-acetyltransferase.
Gene Name: yvbK
Uniprot ID: O32248
Uniprot Name: Uncharacterized N-acetyltransferase YvbK
Molecular Weight: 17745.09 Da

Details29. Aminoglycoside N(6')-acetyltransferase type 1

Kind: Protein
Organism: Salmonella enteritidis
Pharmacological action: Unknown

General Function: Protein homodimerization activity
Specific Function: Catalyzes the transfer of an acetyl group from acetyl-CoA to the 6'-amino group of aminoglycoside molecules conferring resistance to antibiotics containing the purpurosamine ring including amikacin...
Gene Name: Not Available
Uniprot ID: Q9R381
Uniprot Name: Aminoglycoside N(6')-acetyltransferase type 1
Molecular Weight: 16361.42 Da

Details30. Acyl-CoA hydrolase

Kind: Protein
Organism: Bacillus cereus (strain ATCC 14579 / DSM 31)
Pharmacological action: Unknown

General Function: Metal ion binding
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: Q81EE4
Uniprot Name: Acyl-CoA hydrolase
Molecular Weight: 19313.01 Da

Details31. Uncharacterized acyl-CoA thioester hydrolase HI_0827

Kind: Protein
Organism: Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action: Unknown

General Function: Hydrolase activity
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: P44886
Uniprot Name: Uncharacterized acyl-CoA thioester hydrolase HI_0827
Molecular Weight: 16763.305 Da

Details32. 3-oxoacyl-[acyl-carrier-protein] synthase 3

Kind: Protein
Organism: Streptomyces lividans
Pharmacological action: Unknown

General Function: Beta-ketoacyl-acyl-carrier-protein synthase iii activity
Specific Function: Catalyzes the condensation reaction of fatty acid synthesis by the addition to an acyl acceptor of two carbons from malonyl-ACP. Catalyzes the first condensation reaction which initiates fatty acid...
Gene Name: fabH
Uniprot ID: Q9F6D4
Uniprot Name: 3-oxoacyl-[acyl-carrier-protein] synthase 3
Molecular Weight: 35391.78 Da

Details33. Mycothiol acetyltransferase

Kind: Protein
Organism: Mycobacterium tuberculosis
Pharmacological action: Unknown

General Function: Catalyzes the transfer of acetyl from acetyl-CoA to desacetylmycothiol (Cys-GlcN-Ins) to form mycothiol.
Specific Function: Mycothiol synthase activity
Gene Name: mshD
Uniprot ID: P9WJM7
Uniprot Name: Mycothiol acetyltransferase
Molecular Weight: 33598.82 Da

Details34. Histone acetyltransferase KAT2A

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Transcription factor binding
Specific Function: Functions as a histone acetyltransferase (HAT) to promote transcriptional activation. Acetylation of histones gives a specific tag for epigenetic transcription activation. Has significant histone a...
Gene Name: KAT2A
Uniprot ID: Q92830
Uniprot Name: Histone acetyltransferase KAT2A
Molecular Weight: 93924.72 Da

References

Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]

Details35. Acyl-CoA hydrolase

Kind: Protein
Organism: Bacillus halodurans (strain ATCC BAA-125 / DSM 18197 / FERM 7344 / JCM 9153 / C-125)
Pharmacological action: Unknown

General Function: Hydrolase activity
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: Q9KEQ1
Uniprot Name: Acyl-CoA hydrolase
Molecular Weight: 17327.56 Da

Details36. Histone acetyltransferase KAT2B

Kind: Protein
Organism: Humans
Pharmacological action: Unknown

General Function: Transcription factor binding
Specific Function: Functions as a histone acetyltransferase (HAT) to promote transcriptional activation. Has significant histone acetyltransferase activity with core histones (H3 and H4), and also with nucleosome cor...
Gene Name: KAT2B
Uniprot ID: Q92831
Uniprot Name: Histone acetyltransferase KAT2B
Molecular Weight: 93012.295 Da

Details37. 1,4-Dihydroxy-2-naphthoyl-CoA synthase

Kind: Protein
Organism: Mycobacterium tuberculosis
Pharmacological action: Unknown

General Function: Converts o-succinylbenzoyl-CoA (OSB-CoA) to 1,4-dihydroxy-2-naphthoyl-CoA (DHNA-CoA).
Specific Function: 1,4-dihydroxy-2-naphthoyl-coa synthase activity
Gene Name: menB
Uniprot ID: P9WNP5
Uniprot Name: 1,4-dihydroxy-2-naphthoyl-CoA synthase
Molecular Weight: 34688.715 Da

Details38. Citrate synthase

Kind: Protein
Organism: Thermus thermophilus
Pharmacological action: Unknown

General Function: Transferase activity, transferring acyl groups, acyl groups converted into alkyl on transfer
Specific Function: Not Available
Gene Name: cit
Uniprot ID: Q9LCX9
Uniprot Name: Citrate synthase
Molecular Weight: 42322.13 Da

Details39. Aminoglycoside 2'-N-acetyltransferase

Kind: Protein
Organism: Mycobacterium tuberculosis
Pharmacological action: Unknown

General Function: May catalyze the coenzyme A-dependent acetylation of the 2' hydroxyl or amino group of a broad spectrum of aminoglycosides and confer resistance to aminoglycosides (By similarity). In vitro assays show no significant increase of resistance to aminoglycosides, possibly due to low expression in a heterologous system (PubMed:9159528).
Specific Function: Aminoglycoside 2'-n-acetyltransferase activity
Gene Name: aac
Uniprot ID: P9WQG9
Uniprot Name: Aminoglycoside 2'-N-acetyltransferase
Molecular Weight: 20037.53 Da

Details40. Aac(6')-Ii protein

Kind: Protein
Organism: Enterococcus faecium
Pharmacological action: Unknown

General Function: N-acetyltransferase activity
Specific Function: Not Available
Gene Name: aac(6')-Ii
Uniprot ID: Q47764
Uniprot Name: Aac(6')-Ii protein
Molecular Weight: 20679.115 Da

Details41. 4'-phosphopantetheinyl transferase sfp

Kind: Protein
Organism: Bacillus subtilis (strain 168)
Pharmacological action: Unknown

General Function: Magnesium ion binding
Specific Function: Activates the seven peptidyl carrier protein (PCP) domains of surfactin synthase SRF1/2/3 by transferring the 4'-phosphopantetheinyl moiety of coenzyme A (CoA) to a serine residue. Required for cel...
Gene Name: sfp
Uniprot ID: P39135
Uniprot Name: 4'-phosphopantetheinyl transferase sfp
Molecular Weight: 26167.415 Da

Details42. Uncharacterized protein

Kind: Protein
Organism: Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228)
Pharmacological action: Unknown

General Function: N-acetyltransferase activity
Specific Function: Not Available
Gene Name: Not Available
Uniprot ID: Q9HYX1
Uniprot Name: Uncharacterized protein
Molecular Weight: 21901.01 Da

Details43. Serine acetyltransferase

Kind: Protein
Organism: Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)
Pharmacological action: Unknown

General Function: Serine o-acetyltransferase activity
Specific Function: Not Available
Gene Name: cysE
Uniprot ID: P43886
Uniprot Name: Serine acetyltransferase
Molecular Weight: 29166.2 Da

Details44. Citrate synthase

Kind: Protein
Organism: Antarctic bacterium DS2-3R
Pharmacological action: Unknown

General Function: Citrate synthase activity
Specific Function: Involved in the catabolism of short chain fatty acids (SCFA) via the tricarboxylic acid (TCA)(acetyl degradation route) and via the 2-methylcitrate cycle I (propionate degradation route). Catalyzes...
Gene Name: gltA
Uniprot ID: O34002
Uniprot Name: 2-methylcitrate synthase
Molecular Weight: 41832.0 Da

Details45. 4-hydroxybenzoyl-CoA thioesterase

Kind: Protein
Organism: Arthrobacter sp.
Pharmacological action: Unknown

General Function: 4-hydroxybenzoyl-coa thioesterase activity
Specific Function: Not Available
Gene Name: fcbC
Uniprot ID: Q04416
Uniprot Name: 4-hydroxybenzoyl-CoA thioesterase
Molecular Weight: 16394.32 Da

Enzymes

Details1. Aminoglycoside 2'-N-acetyltransferase

Kind: Protein
Organism: Mycobacterium tuberculosis
Pharmacological action: Unknown
Actions: Ligand

General Function: May catalyze the coenzyme A-dependent acetylation of the 2' hydroxyl or amino group of a broad spectrum of aminoglycosides and confer resistance to aminoglycosides (By similarity). In vitro assays show no significant increase of resistance to aminoglycosides, possibly due to low expression in a heterologous system (PubMed:9159528).
Specific Function: Aminoglycoside 2'-n-acetyltransferase activity
Gene Name: aac
Uniprot ID: P9WQG9
Uniprot Name: Aminoglycoside 2'-N-acetyltransferase
Molecular Weight: 20037.53 Da

References

Vetting MW, Park CH, Hegde SS, Jacoby GA, Hooper DC, Blanchard JS: Mechanistic and structural analysis of aminoglycoside N-acetyltransferase AAC(6')-Ib and its bifunctional, fluoroquinolone-active AAC(6')-Ib-cr variant. Biochemistry. 2008 Sep 16;47(37):9825-35. doi: 10.1021/bi800664x. Epub 2008 Aug 19. [Article]
Vetting MW, Hegde SS, Javid-Majd F, Blanchard JS, Roderick SL: Aminoglycoside 2'-N-acetyltransferase from Mycobacterium tuberculosis in complex with coenzyme A and aminoglycoside substrates. Nat Struct Biol. 2002 Sep;9(9):653-8. [Article]

Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52

Coenzyme A

Identification

Structure for Coenzyme A (DB01992)

Pharmacology

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Clinical Trials

Pharmacoeconomics

Properties

Spectra

Targets

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Enzymes

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