› 2pjt

X-ray diffraction
2.8Å resolution

Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344

Released:
DOI: 10.2210/pdb2pjt/pdb
PDB entry 2pjt coloured by chain, front view.
PDB entry 2pjt coloured by chain, side view.
PDB entry 2pjt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Huang A, Joseph-McCarthy D, Lovering F, Sun L, Wang W, Xu W, Zhu Y, Cui J, Zhang Y, Levin JI
Bioorg Med Chem 15 6170-81 (2007)
PMID: 17606376

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155286 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Collagenase 3 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 165 amino acids
Theoretical weight: 18.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P45452 (Residues: 104-268; Coverage: 37%)
Gene name: MMP13
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand ZN 8 x ZN
Ligand CA 10 x CA
Ligand 347 4 x 347
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X26C
Spacegroup: C2
Unit cell:
a: 135.352Å b: 35.789Å c: 139.405Å
α: 90° β: 108.94° γ: 90°
R-values:
R R work R free
0.221 0.212 0.27
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

The ADAM metalloproteinases.
Edwards et al. (2008)
5 more

2 mentions without citation

Analysis of X-ray structures of matrix metalloproteinases via chaotic map clustering.
Giangreco et al. (2010)
1 more