Structure of PDB 5hmc Chain A Binding Site BS01

Receptor Information
>5hmc Chain A (length=125) Species: 285525 (Streptomyces sahachiroi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RLGPYVEHLGLQFERIDPDRAVAYWSVRADLLQPHGILHGGVHCAVVESV
ASAAADRWLGDRGTVVGVSNSTDFFAPATVADGRLTSTALPVHRGATQQV
WSVETVDAAGRLVARGQVRLHNLRL
Ligand information
Ligand ID5NE
InChIInChI=1S/C12H10O2/c1-8-4-2-6-10-9(8)5-3-7-11(10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyVLEZTIKHFUAVRK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1cccc2c1cccc2C(=O)O
CACTVS 3.385Cc1cccc2c1cccc2C(O)=O
ACDLabs 12.01O=C(O)c1cccc2c1cccc2C
FormulaC12 H10 O2
Name5-methylnaphthalene-1-carboxylic acid
ChEMBL
DrugBank
ZINCZINC000039649381
PDB chain5hmc Chain A Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5hmc Polyketide Ring Expansion Mediated by a Thioesterase, Chain Elongation and Cyclization Domain, in Azinomycin Biosynthesis: Characterization of AziB and AziG.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		E57 S61 V74
Binding residue
(residue number reindexed from 1)		E48 S52 V65
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016289 acyl-CoA hydrolase activity
GO:0016787 hydrolase activity
GO:0061522 1,4-dihydroxy-2-naphthoyl-CoA thioesterase activity
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Cellular Component
External links
PDB RCSB:5hmc, PDBe:5hmc, PDBj:5hmc
PDBsum5hmc
PubMed26731610
UniProtB4XYA6

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