› 4h82

X-ray diffraction
1.9Å resolution

Crystal structure of mutant MMP-9 catalytic domain in complex with a twin inhibitor.

Released:
DOI: 10.2210/pdb4h82/pdb
PDB entry 4h82 coloured by chain, front view.
PDB entry 4h82 coloured by chain, side view.
PDB entry 4h82 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, C, D
Molecule details ›
Chains: A, B, C, D
Length: 160 amino acids
Theoretical weight: 17.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
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 8 x ZN
Ligand CA 12 x CA
Ligand L29 2 x L29
Ligand PEG 7 x PEG
Ligand PPI 1 x PPI
Ligand GOL 1 x GOL
Ligand PGO 3 x PGO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P1
Unit cell:
a: 39.9Å b: 98.86Å c: 47.13Å
α: 90.03° β: 111.95° γ: 89.98°
R-values:
R R work R free
0.209 0.207 0.241
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

4 mentions without citation

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Ma et al. (2021)
3 more