Structure of PDB 4bnr Chain I Binding Site BS01

Receptor Information
>4bnr 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]
RPDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAED
CMRTCGGA
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain4bnr Chain I Residue 701 [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)		F4 R42
Binding residue
(residue number reindexed from 1)		F4 R42
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:4bnr, PDBe:4bnr, PDBj:4bnr
PDBsum4bnr
PubMed24034223
UniProtP00974|BPT1_BOVIN Pancreatic trypsin inhibitor

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