› 2y6c

X-ray diffraction
1.7Å resolution

The Discovery of MMP7 inhibitors Exploiting a Novel Selectivity Trigger

Released:
DOI: 10.2210/pdb2y6c/pdb
PDB entry 2y6c coloured by chain, front view.
PDB entry 2y6c coloured by chain, side view.
PDB entry 2y6c coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The discovery of MMP7 inhibitors exploiting a novel selectivity trigger.
Edman K, Furber M, Hemsley P, Johansson C, Pairaudeau G, Petersen J, Stocks M, Tervo A, Ward A, Wells E, Wissler L
ChemMedChem 6 769-73 (2011)
PMID: 21520417

Function and Biology Details

Reaction catalysed: 
Cleavage of 14-Ala-|-Leu-15 and 16-Tyr-|-Leu-17 in B chain of insulin. No action on collagen types I, II, IV, V. Cleaves gelatin chain alpha-2(I) > alpha-1(I).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140605 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Matrilysin Chain: A
Molecule details ›
Chain: A
Length: 165 amino acids
Theoretical weight: 18.17 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P09237 (Residues: 95-258; Coverage: 66%)
Gene names: MMP7, MPSL1, PUMP1
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand CA 2 x CA
Ligand ZN 2 x ZN
Ligand SO4 1 x SO4
Ligand TQI 1 x TQI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF
Spacegroup: I4
Unit cell:
a: 76.669Å b: 76.669Å c: 61.238Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.204 0.202 0.229
Expression system: Escherichia coli

Quick links

Citations

4 review citations

The role of cancer-associated myofibroblasts in intrahepatic cholangiocarcinoma.
Sirica AE. (2012)
3 more

6 mentions without citation

Bioinformatics and Molecular Insights to Anti-Metastasis Activity of Triethylene Glycol Derivatives.
Malik et al. (2020)
5 more