Structure of PDB 1os2 Chain B Binding Site BS04

Receptor Information

>1os2 Chain B (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 ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

1os2 Chain B Residue 372 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1os2 X-ray Structures of Binary and Ternary Enzyme-Product-Inhibitor Complexes of Matrix Metalloproteinases
Resolution	2.15 Å
Binding residue (original residue number in PDB)	D158 G190 G192 D194
Binding residue (residue number reindexed from 1)	D55 G87 G89 D91
Annotation score	4

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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Cellular Component

External links

PDB	RCSB:1os2, PDBe:1os2, PDBj:1os2
PDBsum	1os2
PubMed	12813751
UniProt	P39900\|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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