› 9f3v

X-ray diffraction
1.94Å resolution

RIP2K kinase domain dimer with bound compound 37 (N399), a speific NOD1 pathway inhibitor

Released:
DOI: 10.2210/pdb9f3v/pdb
PDB entry 9f3v coloured by chain, front view.
PDB entry 9f3v coloured by chain, side view.
PDB entry 9f3v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
4-Anilinoquinazoline Derivatives as the First Potent NOD1-RIPK2 Signaling Pathway Inhibitors at the Nanomolar Range.
Barczyk A, Six P, Rivoal M, Devos C, Dezitter X, Cornu-Choi MJ, Huard K, Pellegrini E, Cusack S, Dubuquoy L, Millet R, Leleu-Chavain N
J Med Chem (2024)
PMID: 39444201

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:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned

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: 320 amino acids
Theoretical weight: 36.64 KDa
Source organism: Homo sapiens
Expression system: Trichoplusia ni
UniProt:
  • Canonical: O43353 (Residues: 1-316; Coverage: 59%)
Gene names: CARDIAK, RICK, RIP2, RIPK2, UNQ277/PRO314/PRO34092
Sequence domains: Protein tyrosine and serine/threonine kinase

Ligands and Environments

1 bound ligand:
Ligand A1H90 2 x A1H90
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE MASSIF-1
Spacegroup: P212121
Unit cell:
a: 54.824Å b: 90.75Å c: 137.976Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.222 0.22 0.256
Expression system: Trichoplusia ni

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