Structure of PDB 1i76 Chain A Binding Site BS02

Receptor Information

>1i76 Chain A (length=163) Species: 9606 (Homo sapiens)

MLTPGNPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFT
RISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAE
ETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSL
PQDDIDGIQAIYG

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: 1i76 Chain A Residue 997

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1i76 Two crystal structures of human neutrophil collagenase, one complexed with a primed- and the other with an unprimed-side inhibitor: implications for drug design.
• Resolution: 1.2 Å
• Binding residue (original residue number in PDB): D154 G155 N157 I159 D177 E180
• Binding residue (residue number reindexed from 1): D75 G76 N78 I80 D98 E101
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H197 E198 H201 H207
• Catalytic site (residue number reindexed from 1): H118 E119 H122 H128
• Enzyme Commision number: 3.4.24.34: neutrophil collagenase.

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:1i76, PDBe:1i76, PDBj:1i76
• PDBsum: 1i76
• PubMed: 10978185
• UniProt: P22894|MMP8_HUMAN Neutrophil collagenase (Gene Name=MMP8)