Structure of PDB 5i3m Chain A Binding Site BS04

Receptor Information

>5i3m Chain A (length=157) Species: 9606 (Homo sapiens)

PVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGM
ADILVVFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTH
SGGTNLFLTAVHQIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIR
GIQSLYG

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5i3m Chain A Residue 304

Receptor-Ligand Complex Structure

Structure summary

• 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): D158 G190 G192 D194
• Binding residue (residue number reindexed from 1): D52 G84 G86 D88
• 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

External links

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