Structure of PDB 1cqr Chain B Binding Site BS03

Receptor Information

>1cqr Chain B (length=173) Species: 9606 (Homo sapiens)

FRTFPGIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTF
SRLYEGEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDD
DEQWTKDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRF
RLSQDDINGIQSLYGPPPDSPET

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: 1cqr Chain B Residue 2303

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1cqr Crystal structure of the stromelysin catalytic domain at 2.0 A resolution: inhibitor-induced conformational changes.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D158 G159 G161 V163 D181 E184
• Binding residue (residue number reindexed from 1): D76 G77 G79 V81 D99 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:1cqr, PDBe:1cqr, PDBj:1cqr
• PDBsum: 1cqr
• PubMed: 10543949
• UniProt: P08254|MMP3_HUMAN Stromelysin-1 (Gene Name=MMP3)