Structure of PDB 4bnr Chain J Binding Site BS01

Receptor Information
>4bnr Chain J (length=58) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAED
CMRTCGGA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4bnr Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4bnr Comparison of Complexes Formed by a Crustacean and a Vertebrate Trypsin with Bovine Pancreatic Trypsin Inhibitor - the Key to Achieving Extreme Stability?
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G57 A58
Binding residue
(residue number reindexed from 1)		G57 A58
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004867 serine-type endopeptidase inhibitor activity

View graph for
Molecular Function
External links
PDB RCSB:4bnr, PDBe:4bnr, PDBj:4bnr
PDBsum4bnr
PubMed24034223
UniProtP00974|BPT1_BOVIN Pancreatic trypsin inhibitor

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