Structure of PDB 1gmd Chain F Binding Site BS04

Receptor Information
>1gmd Chain F (length=131) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDV
VVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFS
QTVSAVCLPSASDDFAAGTTCVTTGWGLTRY
Ligand information
Ligand IDHEX
InChIInChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3
InChIKeyVLKZOEOYAKHREP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCCC
FormulaC6 H14
NameHEXANE
ChEMBLCHEMBL15939
DrugBank
ZINCZINC000001532209
PDB chain1gmd Chain F Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1gmd X-ray crystal structure of gamma-chymotrypsin in hexane.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W27 W29 V137 T138 T139
Binding residue
(residue number reindexed from 1)		W12 W14 V122 T123 T124
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H57 D102
Catalytic site (residue number reindexed from 1) H42 D87
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:1gmd, PDBe:1gmd, PDBj:1gmd
PDBsum1gmd
PubMed8003497
UniProtP00766|CTRA_BOVIN Chymotrypsinogen A

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