Structure of PDB 4dy7 Chain A Binding Site BS01

Receptor Information
>4dy7 Chain A (length=45) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EYQTFFNPRTFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGR
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 chain4dy7 Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4dy7 Crystal structures of protease nexin-1 in complex with heparin and thrombin suggest a 2-step recognition mechanism.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		S14I D14L R15
Binding residue
(residue number reindexed from 1)		S40 D43 R45
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.5: thrombin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis
GO:0007596 blood coagulation
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4dy7, PDBe:4dy7, PDBj:4dy7
PDBsum4dy7
PubMed22618708
UniProtP00734|THRB_HUMAN Prothrombin (Gene Name=F2)

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