Structure of PDB 2ayk Chain A Binding Site BS03

Receptor Information

>2ayk 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: 2ayk Chain A Residue 172

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2ayk High-resolution solution structure of the inhibitor-free catalytic fragment of human fibroblast collagenase determined by multidimensional NMR.
• Resolution: N/A
• Binding residue (original residue number in PDB): G76 P77 G78 N80 D98 E101
• Binding residue (residue number reindexed from 1): G70 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:2ayk, PDBe:2ayk, PDBj:2ayk
• PDBsum: 2ayk
• PubMed: 9484219
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)