Structure of PDB 1gmh Chain G Binding Site BS02

Receptor Information
>1gmh Chain G (length=96) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPL
VCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN
Ligand information
Ligand IDISP
InChIInChI=1S/C3H9O4P/c1-3(2)7-8(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKeyQPPQHRDVPBTVEV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)OP(=O)(O)O
CACTVS 3.341CC(C)O[P](O)(O)=O
ACDLabs 10.04O=P(O)(O)OC(C)C
FormulaC3 H9 O4 P
NamePHOSPHORYLISOPROPANE
ChEMBLCHEMBL144888
DrugBankDB03976
ZINCZINC000001673625
PDB chain1gmh Chain G Residue 290 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gmh Refined crystal structures of "aged" and "non-aged" organophosphoryl conjugates of gamma-chymotrypsin.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C191 M192 S195 S214 W215
Binding residue
(residue number reindexed from 1)		C42 M43 S46 S65 W66
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G193 S195 G196
Catalytic site (residue number reindexed from 1) G44 S46 G47
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:1gmh, PDBe:1gmh, PDBj:1gmh
PDBsum1gmh
PubMed1942036
UniProtP00766|CTRA_BOVIN Chymotrypsinogen A

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