› 6fu5

X-ray diffraction
3.26Å resolution

Structure of the kinase domain of human RIPK2 in complex with the inhibitor CSLP18

Released:
DOI: 10.2210/pdb6fu5/pdb
PDB entry 6fu5 coloured by chain, front view.
PDB entry 6fu5 coloured by chain, side view.
PDB entry 6fu5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Small molecule inhibitors reveal an indispensable scaffolding role of RIPK2 in NOD2 signaling.
Hrdinka M, Schlicher L, Dai B, Pinkas DM, Bufton JC, Picaud S, Ward JA, Rogers C, Suebsuwong C, Nikhar S, Cuny GD, Huber KV, Filippakopoulos P, Bullock AN, Degterev A, Gyrd-Hansen M
EMBO J 37 (2018)
PMID: 30026309

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: 317 amino acids
Theoretical weight: 36.39 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: O43353 (Residues: 3-317; Coverage: 58%)
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 E7N 2 x E7N
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P212121
Unit cell:
a: 75.79Å b: 122.71Å c: 71.45Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.231 0.229 0.271
Expression system: Spodoptera frugiperda

Quick links

Citations

13 review citations

Pathway paradigms revealed from the genetics of inflammatory bowel disease.
Graham et al. (2020)
12 more

6 mentions without citation

Ellagic Acid, Kaempferol, and Quercetin from Acacia nilotica: Promising Combined Drug With Multiple Mechanisms of Action.
Al-Nour et al. (2019)
5 more