› 1zxc

X-ray diffraction
2.28Å resolution

Crystal structure of catalytic domain of TNF-alpha converting enzyme (TACE) with inhibitor

Released:
DOI: 10.2210/pdb1zxc/pdb
PDB entry 1zxc coloured by chain, front view.
PDB entry 1zxc coloured by chain, side view.
PDB entry 1zxc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Acetylenic TACE inhibitors. Part 2: SAR of six-membered cyclic sulfonamide hydroxamates.
Levin JI, Chen JM, Laakso LM, Du M, Du X, Venkatesan AM, Sandanayaka V, Zask A, Xu J, Xu W, Zhang Y, Skotnicki JS
Bioorg Med Chem Lett 15 4345-9 (2005)
PMID: 16084720

Function and Biology Details

Reaction catalysed: 
Narrow endopeptidase specificity. Cleaves Pro-Leu-Ala-Gln-Ala-|-Val-Arg-Ser-Ser-Ser in the membrane-bound, 26-kDa form of tumor necrosis factor alpha (TNF-alpha). Similarly cleaves other membrane-anchored, cell-surface proteins to 'shed' the extracellular domains.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160275 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Disintegrin and metalloproteinase domain-containing protein 17 Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 29.74 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P78536 (Residues: 215-477; Coverage: 33%)
Gene names: ADAM17, CSVP, TACE
Sequence domains: Metallo-peptidase family M12B Reprolysin-like
Structure domains: Collagenase (Catalytic Domain)

Ligands and Environments

2 bound ligands:
Ligand ZN 2 x ZN
Ligand IH6 2 x IH6
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 48.12Å b: 59.17Å c: 195.81Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.216 0.21 0.285
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Current perspective of TACE inhibitors: a review.
DasGupta et al. (2009)
3 more

4 mentions without citation

Vitamin D3 Prevents the Deleterious Effects of Testicular Torsion on Testis by Targeting miRNA-145 and ADAM17: In Silico and In Vivo Study.
Mohamed et al. (2021)
3 more