› 4jpa

X-ray diffraction
2Å resolution

Mmp13 in complex with a piperazine hydantoin ligand

Released:
DOI: 10.2210/pdb4jpa/pdb
PDB entry 4jpa coloured by chain, front view.
PDB entry 4jpa coloured by chain, side view.
PDB entry 4jpa coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Hydantoin based inhibitors of MMP13--discovery of AZD6605.
De Savi C, Waterson D, Pape A, Lamont S, Hadley E, Mills M, Page KM, Bowyer J, Maciewicz RA
Bioorg Med Chem Lett 23 4705-12 (2013)
PMID: 23810497

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-155288 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Collagenase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 173 amino acids
Theoretical weight: 19.5 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P45452 (Residues: 103-274; Coverage: 38%)
Gene name: MMP13
Sequence domains: Matrixin
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

4 bound ligands:
Ligand ZN 4 x ZN
Ligand CA 4 x CA
Ligand NA 2 x NA
Ligand AZ6 2 x AZ6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: C2
Unit cell:
a: 134.771Å b: 35.986Å c: 101.492Å
α: 90° β: 134.99° γ: 90°
R-values:
R R work R free
0.18 0.177 0.23
Expression system: Escherichia coli

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Citations

1 review citation

Is there new hope for therapeutic matrix metalloproteinase inhibition?
Vandenbroucke et al. (2014)
2 other articles