Structure of PDB 6enm Chain A Binding Site BS06

Receptor Information

>6enm Chain A (length=152) Species: 9606 (Homo sapiens)

HYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILV
VFARGAHGDDHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTN
LFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSL
YG

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: 6enm Chain A Residue 306

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6enm Development of Thioaryl-Based Matrix Metalloproteinase-12 Inhibitors with Alternative Zinc-Binding Groups: Synthesis, Potentiometric, NMR, and Crystallographic Studies.
• Resolution: 1.59 Å
• Binding residue (original residue number in PDB): D175 G176 G178 I180 D198 E201
• Binding residue (residue number reindexed from 1): D64 G65 G67 I69 D87 E90
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H218 E219 H222 H228
• Catalytic site (residue number reindexed from 1): H107 E108 H111 H117
• 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:6enm, PDBe:6enm, PDBj:6enm
• PDBsum: 6enm
• PubMed: 29727184
• UniProt: P39900|MMP12_HUMAN Macrophage metalloelastase (Gene Name=MMP12)