Structure of PDB 1bpi Chain A Binding Site BS01

Receptor Information
>1bpi Chain A (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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1bpi Chain A Residue 59 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bpi Structure of bovine pancreatic trypsin inhibitor at 125 K definition of carboxyl-terminal residues Gly57 and Ala58.
Resolution1.09 Å
Binding residue
(original residue number in PDB)		R20 Y35
Binding residue
(residue number reindexed from 1)		R20 Y35
Annotation score3
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:1bpi, PDBe:1bpi, PDBj:1bpi
PDBsum1bpi
PubMed15299722
UniProtP00974|BPT1_BOVIN Pancreatic trypsin inhibitor

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