Structure of PDB 2jnp Chain A Binding Site BS04

Receptor Information

>2jnp Chain A (length=161) Species: 9606 (Homo sapiens)

GIPKWRKTHLTYRIVNYTPDLPKDAVDSAVEKALKVWEEVTPLTFSRLYE
GEADIMISFAVREHGDFYPFDGPGNVLAHAYAPGPGINGDAHFDDDEQWT
KDTTGTNLFLVAAHEIGHSLGLFHSANTEALMYPLYHSLTDLTRFRLSQD
DINGIQSLYGP

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: 2jnp Chain A Residue 252

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2jnp Matrix metalloproteinase-inhibitor interaction: the solution structure of the catalytic domain of human matrix metalloproteinase-3 with different inhibitors
• Resolution: N/A
• Binding residue (original residue number in PDB): D141 G173 N175 G176 D177
• Binding residue (residue number reindexed from 1): D54 G86 N88 G89 D90
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H201 E202 H205 H211
• Catalytic site (residue number reindexed from 1): H114 E115 H118 H124
• 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:2jnp, PDBe:2jnp, PDBj:2jnp
• PDBsum: 2jnp
• PubMed: 17710450
• UniProt: P08254|MMP3_HUMAN Stromelysin-1 (Gene Name=MMP3)