Structure of PDB 3dng Chain B Binding Site BS01

Receptor Information

>3dng Chain B (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: 3dng Chain B Residue 996

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3dng Extra Binding Region Induced by Non-Zinc Chelating Inhibitors into the S(1)' Subsite of Matrix Metalloproteinase 8 (MMP-8)
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D137 G169 G171 D173
• Binding residue (residue number reindexed from 1): D58 G90 G92 D94
• 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:3dng, PDBe:3dng, PDBj:3dng
• PDBsum: 3dng
• PubMed: 19173605
• UniProt: P22894|MMP8_HUMAN Neutrophil collagenase (Gene Name=MMP8)