Structure of PDB 2ow0 Chain A Binding Site BS03

Receptor Information

>2ow0 Chain A (length=159) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

FEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLTFTRV
YSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFDDDEL
WSLGKGQGYSLFLVAAHQFGHALGLDHSSVPEALMYPMYRFTEGPPLHKD
DVNGIRHLY

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

2ow0 Chain A Residue 446 [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	2ow0 Crystal Structures of MMP-9 Complexes with Five Inhibitors: Contribution of the Flexible Arg424 Side-chain to Selectivity.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D165 G197 Q199 D201
Binding residue (residue number reindexed from 1)	D56 G88 Q90 D92
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H401 Q402 H405 H411
Catalytic site (residue number reindexed from 1)	H117 Q118 H121 H127
Enzyme Commision number	3.4.24.35: gelatinase B.

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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Cellular Component

External links

PDB	RCSB:2ow0, PDBe:2ow0, PDBj:2ow0
PDBsum	2ow0
PubMed	17599356
UniProt	P14780\|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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