Structure of PDB 4ayk Chain A Binding Site BS01

Receptor Information

>4ayk Chain A (length=169) Species: 9606 (Homo sapiens)

VLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFT
KVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDED
ERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQ
DDIDGIQAIYGRSQNPVQP

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 4ayk Chain A Residue 170

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ayk 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): H118 H122 H128
• Binding residue (residue number reindexed from 1): H118 H122 H128
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): H118 E119 H122 H128
• Catalytic site (residue number reindexed from 1): H118 E119 H122 H128
• 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:4ayk, PDBe:4ayk, PDBj:4ayk
• PDBsum: 4ayk
• PubMed: 10353819
• UniProt: P03956|MMP1_HUMAN Interstitial collagenase (Gene Name=MMP1)