Structure of PDB 2fi3 Chain I Binding Site BS01

Receptor Information
>2fi3 Chain I (length=58) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPDFCLEPPYTGPSKARIIRYFYNAKAGLCQTFVYGGSRAKRNNFKSAED
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 chain2fi3 Chain I Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2fi3 Functional and structural roles of the Cys14-Cys38 disulfide of bovine pancreatic trypsin inhibitor.
Resolution1.58 Å
Binding residue
(original residue number in PDB)		Q31 T32
Binding residue
(residue number reindexed from 1)		Q31 T32
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:2fi3, PDBe:2fi3, PDBj:2fi3
PDBsum2fi3
PubMed18692070
UniProtP00974|BPT1_BOVIN Pancreatic trypsin inhibitor

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