› 1ztq

X-ray diffraction
2Å resolution

Crystal structure of the catalytic domain of MMP-13 complexed with WAY-033

Released:
DOI: 10.2210/pdb1ztq/pdb
PDB entry 1ztq coloured by chain, front view.
PDB entry 1ztq coloured by chain, side view.
PDB entry 1ztq coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of potent and selective MMP-13 inhibitors.
Wu J, Rush TS, Hotchandani R, Du X, Geck M, Collins E, Xu ZB, Skotnicki J, Levin JI, Lovering FE
Bioorg Med Chem Lett 15 4105-9 (2005)
PMID: 16005220

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 12 x CA
Ligand 033 4 x 033
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P21
Unit cell:
a: 35.937Å b: 135.252Å c: 69.385Å
α: 90° β: 104.95° γ: 90°
R-values:
R R work R free
0.236 0.236 0.287
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

7 review citations

Is there new hope for therapeutic matrix metalloproteinase inhibition?
Vandenbroucke et al. (2014)
6 more

5 mentions without citation

Structure-Based Design and Synthesis of Potent and Selective Matrix Metalloproteinase 13 Inhibitors.
Choi et al. (2017)
4 more