Structure of PDB 3ayk Chain A Binding Site BS03

Receptor Information

>3ayk Chain A (length=157) Species: 9606 (Homo sapiens)

PRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQ
ADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNN
FREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGI
QAIYGRS

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: 3ayk Chain A Residue 172

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ayk NMR solution structure of the catalytic fragment of human fibroblast collagenase complexed with a sulfonamide derivative of a hydroxamic acid compound.
• Resolution: N/A
• Binding residue (original residue number in PDB): P77 G78 N80 D98 E101
• Binding residue (residue number reindexed from 1): P71 G72 N74 D92 E95
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H118 E119 H122 H128
• Catalytic site (residue number reindexed from 1): H112 E113 H116 H122
• Enzyme Commision number: 3.4.24.7: interstitial 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:3ayk, PDBe:3ayk, PDBj:3ayk
• PDBsum: 3ayk
• PubMed: 10353819
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)