› 4gr8

X-ray diffraction
1.3Å resolution

Crystal structure of the catalytic domain of Human MMP12 in complex with selective phosphinic inhibitor RXP470C

Released:
DOI: 10.2210/pdb4gr8/pdb
PDB entry 4gr8 coloured by chain, front view.
PDB entry 4gr8 coloured by chain, side view.
PDB entry 4gr8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies.
Czarny B, Stura EA, Devel L, Vera L, Cassar-Lajeunesse E, Beau F, Calderone V, Fragai M, Luchinat C, Dive V
J Med Chem 56 1149-59 (2013)
PMID: 23343195

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-153971 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Macrophage metalloelastase Chain: A
Molecule details ›
Chain: A
Length: 152 amino acids
Theoretical weight: 16.83 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P39900 (Residues: 111-262; Coverage: 34%)
Gene names: HME, MMP12
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 2 x ZN
Ligand CA 3 x CA
Ligand R4C 1 x R4C
Ligand IMD 1 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P21212
Unit cell:
a: 67.83Å b: 61.47Å c: 33.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.203
Expression system: Escherichia coli BL21

Quick links

Citations

6 review citations

Matrix metalloproteinases as breast cancer drivers and therapeutic targets.
Radisky et al. (2015)
5 more

1 mention without citation

Identification of Broad-Spectrum MMP Inhibitors by Virtual Screening.
Gimeno et al. (2021)