› 5w5j

X-ray diffraction
2.85Å resolution

Identification of potent and selective RIPK2 inhibitors for the treatment of inflammatory diseases

Released:
DOI: 10.2210/pdb5w5j/pdb
PDB entry 5w5j coloured by chain, front view.
PDB entry 5w5j coloured by chain, side view.
PDB entry 5w5j coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Identification of Potent and Selective RIPK2 Inhibitors for the Treatment of Inflammatory Diseases.
He X, Da Ros S, Nelson J, Zhu X, Jiang T, Okram B, Jiang S, Michellys PY, Iskandar M, Espinola S, Jia Y, Bursulaya B, Kreusch A, Gao MY, Spraggon G, Baaten J, Clemmer L, Meeusen S, Huang D, Hill R, Nguyen-Tran V, Fathman J, Liu B, Tuntland T, Gordon P, Hollenbeck T, Ng K, Shi J, Bordone L, Liu H
ACS Med Chem Lett 8 1048-1053 (2017)
PMID: 29057049

Function and Biology Details

Reactions catalysed: 
ATP + a [protein]-L-tyrosine = ADP + a [protein]-L-tyrosine phosphate
ATP + a protein = ADP + a phosphoprotein
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128909 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Receptor-interacting serine/threonine-protein kinase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 310 amino acids
Theoretical weight: 35.62 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: O43353 (Residues: 2-311; Coverage: 57%)
Gene names: CARDIAK, RICK, RIP2, RIPK2, UNQ277/PRO314/PRO34092
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand 9WS 2 x 9WS
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 58.213Å b: 92.264Å c: 126.63Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.217 0.268
Expression system: unidentified baculovirus

Quick links

Citations

6 review citations

Major advances in targeted protein degradation: PROTACs, LYTACs, and MADTACs.
Alabi et al. (2021)
5 more

2 mentions without citation

Recent advances in the development of RIPK2 modulators for the treatment of inflammatory diseases.
Pham et al. (2023)
1 more