› 4h2e

X-ray diffraction
2.9Å resolution

Crystal structure of an MMP twin inhibitor complexing two MMP-9 catalytic domains

Released:
DOI: 10.2210/pdb4h2e/pdb
PDB entry 4h2e coloured by chain, front view.
PDB entry 4h2e coloured by chain, side view.
PDB entry 4h2e 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:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147085 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
67 kDa matrix metalloproteinase-9 Chains: A, B
Molecule details ›
Chains: A, B
Length: 164 amino acids
Theoretical weight: 18.34 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P14780 (Residues: 107-444; Coverage: 24%)
Gene names: CLG4B, MMP9
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

6 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 5 x CA
Ligand PEG 9 x PEG
Ligand ACT 4 x ACT
Ligand BCN 3 x BCN
Ligand 0Y3 1 x 0Y3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P21
Unit cell:
a: 40.18Å b: 97.4Å c: 45.69Å
α: 90° β: 111.99° γ: 90°
R-values:
R R work R free
0.279 0.277 0.311
Expression system: Escherichia coli BL21(DE3)

Quick links

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

3 mentions without citation

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