› 4hma

X-ray diffraction
1.94Å resolution

Crystal structure of an MMP twin carboxylate based inhibitor LC20 in complex with the MMP-9 catalytic domain

Released:
DOI: 10.2210/pdb4hma/pdb
PDB entry 4hma coloured by chain, front view.
PDB entry 4hma coloured by chain, side view.
PDB entry 4hma coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystallization of bi-functional ligand protein complexes.
Antoni C, Vera L, Devel L, Catalani MP, Czarny B, Cassar-Lajeunesse E, Nuti E, Rossello A, Dive V, Stura EA
J Struct Biol 182 246-54 (2013)
PMID: 23567804

Function and Biology Details

Reaction catalysed: 
Cleavage of gelatin types I and V and collagen types IV and V.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147089 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
67 kDa matrix metalloproteinase-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 160 amino acids
Theoretical weight: 17.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P14780 (Residues: 110-444; Coverage: 23%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

7 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 6 x CA
Ligand 0ZD 1 x 0ZD
Ligand GOL 5 x GOL
Ligand PGO 6 x PGO
Ligand PEG 7 x PEG
Ligand MLT 1 x MLT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P21212
Unit cell:
a: 73.87Å b: 98.24Å c: 47.44Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.214 0.211 0.283
Expression system: Escherichia coli

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Citations

2 review citations

Small Molecule Agents Targeting PD-1 Checkpoint Pathway for Cancer Immunotherapy: Mechanisms of Action and Other Considerations for Their Advanced Development.
Sasikumar et al. (2022)
1 more

7 mentions without citation

Bifunctional Inhibitors as a New Tool To Reduce Cancer Cell Invasion by Impairing MMP-9 Homodimerization.
Nuti et al. (2017)
6 more