› 1utt

X-ray diffraction
2.2Å resolution

Crystal Structure of MMP-12 complexed to 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl-4-(4-ethoxy[1,1-biphenyl]-4-yl)-4-oxobutanoic acid

Released:
DOI: 10.2210/pdb1utt/pdb
PDB entry 1utt coloured by chain, front view.
PDB entry 1utt coloured by chain, side view.
PDB entry 1utt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structures of novel non-peptidic, non-zinc chelating inhibitors bound to MMP-12.
Morales R, Perrier S, Florent JM, Beltra J, Dufour S, De Mendez I, Manceau P, Tertre A, Moreau F, Compere D, Dublanchet AC, O'Gara M
J Mol Biol 341 1063-76 (2004)
PMID: 15289103

Function and Biology Details

Reaction catalysed: 
Hydrolysis of soluble and insoluble elastin (1). Specific cleavages are also produced at -Ala(14)-|-Leu- and -Tyr(16)-|-Leu- in the B chain of insulin (2).
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153977 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Macrophage metalloelastase Chain: A
Molecule details ›
Chain: A
Length: 159 amino acids
Theoretical weight: 17.63 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P39900 (Residues: 106-264; Coverage: 35%)
Gene names: HME, MMP12
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand HAE 1 x HAE
Ligand CP8 1 x CP8
Ligand ZN 2 x ZN
Ligand CA 4 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P4132
Unit cell:
a: 125.041Å b: 125.041Å c: 125.041Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.217 0.217 0.229
Expression system: Escherichia coli BL21(DE3)

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Citations

14 review citations

Tumour microenvironment - opinion: validating matrix metalloproteinases as drug targets and anti-targets for cancer therapy.
Overall et al. (2006)
13 more

3 mentions without citation

A network pharmacology approach to understanding the mechanisms of action of traditional medicine: Bushenhuoxue formula for treatment of chronic kidney disease.
Shi et al. (2014)
2 more