Structure of PDB 4jqg Chain B Binding Site BS02

Receptor Information

>4jqg Chain B (length=164) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALWSAVTPLT
FTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGIQGDAHFD
DDELWSLGKGVGYSLFLVAAHAFGHALGLDHSSVPEALMYPMYRFTEGPP
LHKDDVNGIRHLYG

Ligand information

Ligand ID

AZI

InChI

InChI=1S/N3/c1-3-2/q-1

InChIKey

IVRMZWNICZWHMI-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[N-]=[N+]=[N-]

Formula

Name

AZIDE ION

PDB chain

4jqg Chain Q Residue 600 [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	4jqg Halogen Bonding Controls Selectivity of FRET Substrate Probes for MMP-9.
Resolution	1.849 Å
Binding residue (original residue number in PDB)	A189 H190 H226 A227 H230
Binding residue (residue number reindexed from 1)	A84 H85 H121 A122 H125
Annotation score	1

Enzymatic activity

Catalytic site (original residue number in PDB)	H226 A227 H230 H236
Catalytic site (residue number reindexed from 1)	H121 A122 H125 H131
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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Molecular Function

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Cellular Component

External links

PDB	RCSB:4jqg, PDBe:4jqg, PDBj:4jqg
PDBsum	4jqg
PubMed	24583051
UniProt	P14780\|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)

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