› 4h1q

X-ray diffraction
1.59Å resolution

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

Released:
DOI: 10.2210/pdb4h1q/pdb
PDB entry 4h1q coloured by chain, front view.
PDB entry 4h1q coloured by chain, side view.
PDB entry 4h1q 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: 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

3 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 7 x CA
Ligand 0XX 2 x 0XX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-1
Spacegroup: P21
Unit cell:
a: 44.14Å b: 48.66Å c: 67.92Å
α: 90° β: 102.55° γ: 90°
R-values:
R R work R free
0.172 0.17 0.211
Expression system: Escherichia coli BL21(DE3)

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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

9 mentions without citation

Preparation and Evaluation of Chitosan/PVA Based Hydrogel Films Loaded with Honey for Wound Healing Application.
Chopra et al. (2022)
8 more