› 4gs6

X-ray diffraction
2.2Å resolution

Irreversible Inhibition of TAK1 Kinase by 5Z-7-Oxozeaenol

Released:
DOI: 10.2210/pdb4gs6/pdb
PDB entry 4gs6 coloured by chain, front view.
PDB entry 4gs6 coloured by chain, side view.
PDB entry 4gs6 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Mechanism and in vitro pharmacology of TAK1 inhibition by (5Z)-7-Oxozeaenol.
Wu J, Powell F, Larsen NA, Lai Z, Byth KF, Read J, Gu RF, Roth M, Toader D, Saeh JC, Chen H
ACS Chem Biol 8 643-50 (2013)
PMID: 23272696

Function and Biology Details

Reaction catalysed: 
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128894 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Mitogen-activated protein kinase kinase kinase 7; TGF-beta-activated kinase 1 and MAP3K7-binding protein 1 Chain: A
Molecule details ›
Chain: A
Length: 315 amino acids
Theoretical weight: 35.52 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O43318 (Residues: 31-303; Coverage: 45%)
  • Canonical: Q15750 (Residues: 468-504; Coverage: 7%)
Gene names: MAP3K7, MAP3K7IP1, TAB1, TAK1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand EDO 10 x EDO
Ligand 1FM 1 x 1FM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU FR-E+ DW
Spacegroup: I222
Unit cell:
a: 58.138Å b: 133.867Å c: 142.129Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.223 0.222 0.245
Expression system: Spodoptera frugiperda

Quick links

Citations

10 review citations

Drugs to block cytokine signaling for the prevention and treatment of inflammation-induced preterm birth.
Ng et al. (2015)
9 more

7 mentions without citation

TAK1: a potent tumour necrosis factor inhibitor for the treatment of inflammatory diseases.
Totzke et al. (2020)
6 more