Structure of PDB 456c Chain A Binding Site BS03

Receptor Information

>456c Chain A (length=160) Species: 9606 (Homo sapiens)

TLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDG
IADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTS
SSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDV
QGIQSLYGPG

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: 456c Chain A Residue 274

Receptor-Ligand Complex Structure

Structure summary

• PDB: 456c Crystal structures of MMP-1 and -13 reveal the structural basis for selectivity of collagenase inhibitors.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): D179 G180 P181 S182 L184 D202 E205
• Binding residue (residue number reindexed from 1): D70 G71 P72 S73 L75 D93 E96
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H222 E223 H226 H232
• Catalytic site (residue number reindexed from 1): H113 E114 H117 H123
• Enzyme Commision number: 3.4.24.-

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:456c, PDBe:456c, PDBj:456c
• PDBsum: 456c
• PubMed: 10074939
• UniProt: P45452|MMP13_HUMAN Collagenase 3 (Gene Name=MMP13)