Structure of PDB 5i3m Chain D Binding Site BS05

Receptor Information

>5i3m Chain D (length=157) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

PVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGM
ADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTH
SGGTNLFLTAVHQIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIR
GIQSLYG

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

5i3m Chain D Residue 305 [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	5i3m Sugar-Based Arylsulfonamide Carboxylates as Selective and Water-Soluble Matrix Metalloproteinase-12 Inhibitors.
Resolution	2.17 Å
Binding residue (original residue number in PDB)	D124 E199 E201
Binding residue (residue number reindexed from 1)	D18 E93 E95
Annotation score	4

Enzymatic activity

Catalytic site (original residue number in PDB)	H218 Q219 H222 H228
Catalytic site (residue number reindexed from 1)	H112 Q113 H116 H122
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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Cellular Component

External links

PDB	RCSB:5i3m, PDBe:5i3m, PDBj:5i3m
PDBsum	5i3m
PubMed	27356908
UniProt	P39900\|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)

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