Structure of PDB 1os9 Chain E Binding Site BS02

Receptor Information
>1os9 Chain E (length=165) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKIN
TGMADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFW
TTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSAD
DIRGIQSLYGDPKEN
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 chain1os9 Chain E Residue 922 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1os9 X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H168 D170 H183 H196
Binding residue
(residue number reindexed from 1)		H65 D67 H80 H93
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H218 E219 H222 H228
Catalytic site (residue number reindexed from 1) H115 E116 H119 H125
Enzyme Commision number 3.4.24.65: macrophage elastase.
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:1os9, PDBe:1os9, PDBj:1os9
PDBsum1os9
PubMed12813751
UniProtP39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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