Structure of PDB 2ftl Chain I Binding Site BS01

Receptor Information
>2ftl Chain I (length=57) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PDFCLEPPYTGPCKARIIRYFYNAKAGLCQTFVYGGCRAKRNNFKSAEDC
MRTCGGA
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 chain2ftl Chain I Residue 1003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2ftl Rigidification of a Flexible Protease Inhibitor Variant upon Binding to Trypsin.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		Q31 T32
Binding residue
(residue number reindexed from 1)		Q30 T31
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:2ftl, PDBe:2ftl, PDBj:2ftl
PDBsum2ftl
PubMed17157870
UniProtP00974|BPT1_BOVIN Pancreatic trypsin inhibitor

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