Structure of PDB 5th6 Chain A Binding Site BS03

Receptor Information

>5th6 Chain A (length=220) Species: 9606 (Homo sapiens)

DRQLAEEYLYRYGYTRVALGPALLLLQKQLSLPETGELDSATLKAMRTPR
CGVPDLGRFQTFEGDLKWHHHNITYWIQNYSEDLPRAVIDDAFARAFALW
SAVTPLTFTRVYSRDADIVIQFGVAEHGDGYPFDGKDGLLAHAFPPGPGI
QGDAHFDDDELWSLGKGQGYSLFLVAAHEFGHALGLDHSSVPEALMYPMY
RFTEGPPLHKDDVNGIRHLY

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: 5th6 Chain A Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5th6 Biochemical characterization and structure determination of a potent, selective antibody inhibitor of human MMP9.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D165 G197 Q199 D201
• Binding residue (residue number reindexed from 1): D117 G149 Q151 D153
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H401 E402 H405 H411
• Catalytic site (residue number reindexed from 1): H178 E179 H182 H188
• Enzyme Commision number: 3.4.24.35: gelatinase B.

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:5th6, PDBe:5th6, PDBj:5th6
• PDBsum: 5th6
• PubMed: 28235803
• UniProt: P14780|MMP9_HUMAN Matrix metalloproteinase-9 (Gene Name=MMP9)