› 2hu6

X-ray diffraction
1.32Å resolution

Crystal structure of human MMP-12 in complex with acetohydroxamic acid and a bicyclic inhibitor

Released:
DOI: 10.2210/pdb2hu6/pdb
PDB entry 2hu6 coloured by chain, front view.
PDB entry 2hu6 coloured by chain, side view.
PDB entry 2hu6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors.
Mannino C, Nievo M, Machetti F, Papakyriakou A, Calderone V, Fragai M, Guarna A
Bioorg Med Chem 14 7392-403 (2006)
PMID: 16899369

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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-544352 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Macrophage metalloelastase Chain: A
Molecule details ›
Chain: A
Length: 159 amino acids
Theoretical weight: 17.62 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P39900 (Residues: 106-263; Coverage: 35%)
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 37A 1 x 37A
Ligand HAE 1 x HAE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE BW7A
Spacegroup: C2
Unit cell:
a: 51.25Å b: 60.179Å c: 53.974Å
α: 90° β: 114.59° γ: 90°
R-values:
R R work R free
0.163 0.161 0.182
Expression system: Escherichia coli BL21

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Citations

1 review citation

Matrix metalloproteinase 12 silencing: a therapeutic approach to treat pathological lung tissue remodeling?
Garbacki et al. (2009)
3 other articles

2 mentions without citation

Solution structure of inhibitor-free human metalloelastase (MMP-12) indicates an internal conformational adjustment.
Bhaskaran et al. (2007)
1 more