Structure of PDB 2poj Chain A Binding Site BS03

Receptor Information
>2poj Chain A (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKF
SKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDE
DEFWTTHSGGTNLFLTAVHAIGHSLGLGHSSDPKAVMFPTYKYVDINTFR
LSADDIRGIQSLYG
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 chain2poj Chain A Residue 266 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2poj Solution Structure of Inhibitor-Free Human Metalloelastase (MMP-12) Indicates an Internal Conformational Adjustment.
ResolutionN/A
Binding residue
(original residue number in PDB)		D175 G176 G178 G179 I180 L181 D198 E201
Binding residue
(residue number reindexed from 1)		D76 G77 G79 G80 I81 L82 D99 E102
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H218 A219 H222 H228
Catalytic site (residue number reindexed from 1) H119 A120 H123 H129
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:2poj, PDBe:2poj, PDBj:2poj
PDBsum2poj
PubMed17997411
UniProtP39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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