› 3q2g

X-ray diffraction
2.3Å resolution

Adamts1 in complex with a novel N-hydroxyformamide inhibitors

Released:
DOI: 10.2210/pdb3q2g/pdb
PDB entry 3q2g coloured by chain, front view.
PDB entry 3q2g coloured by chain, side view.
PDB entry 3q2g coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis.
De Savi C, Pape A, Cumming JG, Ting A, Smith PD, Burrows JN, Mills M, Davies C, Lamont S, Milne D, Cook C, Moore P, Sawyer Y, Gerhardt S
Bioorg Med Chem Lett 21 1376-81 (2011)
PMID: 21300546

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-193751 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
A disintegrin and metalloproteinase with thrombospondin motifs 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 297 amino acids
Theoretical weight: 32.58 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q9UHI8 (Residues: 256-548; Coverage: 32%)
Gene names: ADAMTS1, KIAA1346, METH1
Sequence domains:
Structure domains:

Ligands and Environments

6 bound ligands:
Ligand QGF 2 x QGF
Ligand ZN 2 x ZN
Ligand CD 5 x CD
Ligand NI 14 x NI
Ligand MG 1 x MG
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E DW
Spacegroup: P21
Unit cell:
a: 51.309Å b: 63.419Å c: 114.912Å
α: 90° β: 89.88° γ: 90°
R-values:
R R work R free
0.211 0.208 0.261
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Proteases involved in cartilage matrix degradation in osteoarthritis.
Troeberg et al. (2012)
2 more

2 mentions without citation

Crystal structure and substrate-induced activation of ADAMTS13.
Petri et al. (2019)
1 more