Structure of PDB 2usn Chain A Binding Site BS05

Receptor Information

>2usn Chain A (length=165) Species: 9606 (Homo sapiens)

FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTF
SRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDD
DEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRF
RLSQDDINGIQSLYG

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: 2usn Chain A Residue 261

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2usn Structural characterizations of nonpeptidic thiadiazole inhibitors of matrix metalloproteinases reveal the basis for stromelysin selectivity.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D107 D182 E184
• Binding residue (residue number reindexed from 1): D25 D100 E102
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H201 E202 H205 H211
• Catalytic site (residue number reindexed from 1): H119 E120 H123 H129
• Enzyme Commision number: 3.4.24.17: stromelysin 1.

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:2usn, PDBe:2usn, PDBj:2usn
• PDBsum: 2usn
• PubMed: 9792098
• UniProt: P08254|MMP3_HUMAN Stromelysin-1 (Gene Name=MMP3)