› 3hy9

X-ray diffraction
2.02Å resolution

Crystal Structure of the Catalytic Domain of ADAMTS-5 in Complex with an Amino-2-indanol compound

Released:
DOI: 10.2210/pdb3hy9/pdb
PDB entry 3hy9 coloured by chain, front view.
PDB entry 3hy9 coloured by chain, side view.
PDB entry 3hy9 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and inhibition analysis reveals the mechanism of selectivity of a series of aggrecanase inhibitors.
Tortorella MD, Tomasselli AG, Mathis KJ, Schnute ME, Woodard SS, Munie G, Williams JM, Caspers N, Wittwer AJ, Malfait AM, Shieh HS
J Biol Chem 284 24185-91 (2009)
PMID: 19586907

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-193989 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
A disintegrin and metalloproteinase with thrombospondin motifs 5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 221 amino acids
Theoretical weight: 24.44 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9UNA0 (Residues: 262-480; Coverage: 24%)
Gene names: ADAMTS11, ADAMTS5, ADMP2
Sequence domains: Reprolysin (M12B) family zinc metalloprotease
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

3 bound ligands:
Ligand ZN 2 x ZN
Ligand CA 6 x CA
Ligand 098 2 x 098
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P21
Unit cell:
a: 52.692Å b: 44.444Å c: 76.458Å
α: 90° β: 90.19° γ: 90°
R-values:
R R work R free
0.163 0.159 0.238
Expression system: Escherichia coli

Quick links

Citations

15 review citations

The ADAMTS (A Disintegrin and Metalloproteinase with Thrombospondin motifs) family.
Kelwick et al. (2015)
14 more

3 mentions without citation

Targeting Aggrecanases for Osteoarthritis Therapy: From Zinc Chelation to Exosite Inhibition.
Cuffaro et al. (2022)
2 more