PDBe 4jpa

X-ray diffraction
2Å resolution

Mmp13 in complex with a piperazine hydantoin ligand

Released:
Source organism: Homo sapiens
Primary publication:
Hydantoin based inhibitors of MMP13--discovery of AZD6605.
Bioorg. Med. Chem. Lett. 23 4705-12 (2013)
PMID: 23810497

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (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


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