› 5w5o

X-ray diffraction
2.89Å resolution

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

Released:
DOI: 10.2210/pdb5w5o/pdb
PDB entry 5w5o coloured by chain, front view.
PDB entry 5w5o coloured by chain, side view.
PDB entry 5w5o 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, C, D, E, F, G, H, I, J, K, L, M, N, O, P
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
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

1 bound ligand:
Ligand 9XA 16 x 9XA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P1
Unit cell:
a: 80.308Å b: 107.475Å c: 210.193Å
α: 90.15° β: 89.77° γ: 89.96°
R-values:
R R work R free
0.219 0.217 0.252
Expression system: unidentified baculovirus

Quick links

Citations

7 review citations

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

1 mention without citation

Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.
Hrdinka et al. (2018)