Structure of PDB 3shi Chain M Binding Site BS02

Receptor Information
>3shi Chain M (length=156) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEG
QADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTN
NFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDG
IQAIYG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain3shi Chain M Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3shi The catalytic domain of MMP-1 studied through tagged lanthanides.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H168 D170 H183 H196
Binding residue
(residue number reindexed from 1)		H63 D65 H78 H91
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H218 H222 H228
Catalytic site (residue number reindexed from 1) H113 H117 H123
Enzyme Commision number 3.4.24.7: interstitial collagenase.
Gene Ontology
Molecular Function
GO:0004222 metalloendopeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
Biological Process
GO:0006508 proteolysis
Cellular Component
GO:0031012 extracellular matrix

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3shi, PDBe:3shi, PDBj:3shi
PDBsum3shi
PubMed21945315
UniProtP03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)

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