Structure of PDB 3gch Chain C Binding Site BS02

Receptor Information
>3gch Chain C (length=95) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLV
CKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
Ligand information
Ligand IDOAC
InChIInChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKeyHGNFDPZASRDVLL-SSDOTTSWSA-N
SMILES
SoftwareSMILES
CACTVS 3.341C[C@H](Cc1ccccc1O)C(O)=O
OpenEye OEToolkits 1.5.0CC(Cc1ccccc1O)C(=O)O
ACDLabs 10.04O=C(O)C(Cc1ccccc1O)C
CACTVS 3.341C[CH](Cc1ccccc1O)C(O)=O
FormulaC10 H12 O3
NameTRANS-O-HYDROXY-ALPHA-METHYL CINNAMATE
ChEMBL
DrugBankDB01662
ZINC
PDB chain3gch Chain C Residue 246 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3gch Structure and activity of two photoreversible cinnamates bound to chymotrypsin.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		M192 S195 W215 G216 S217
Binding residue
(residue number reindexed from 1)		M42 S45 W65 G66 S67
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) M192 G193 D194 S195 G196
Catalytic site (residue number reindexed from 1) M42 G43 D44 S45 G46
Enzyme Commision number 3.4.21.1: chymotrypsin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:3gch, PDBe:3gch, PDBj:3gch
PDBsum3gch
PubMed2364065
UniProtP00766|CTRA_BOVIN Chymotrypsinogen A

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