Structure of PDB 1a85 Chain A Binding Site BS03

Receptor Information

>1a85 Chain A (length=158) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

NPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQG
EADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTN
TSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDI
DGIQAIYG

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

1a85 Chain A Residue 998 [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	1a85 Structure of malonic acid-based inhibitors bound to human neutrophil collagenase. A new binding mode explains apparently anomalous data.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	H147 D149 H162 H175
Binding residue (residue number reindexed from 1)	H63 D65 H78 H91
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H197 E198 H201 H207
Catalytic site (residue number reindexed from 1)	H113 E114 H117 H123
Enzyme Commision number	3.4.24.34: neutrophil collagenase.

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:1a85, PDBe:1a85, PDBj:1a85
PDBsum	1a85
PubMed	9655333
UniProt	P22894\|MMP8_HUMAN Neutrophil collagenase (Gene Name=MMP8)

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