› 4neu

X-ray diffraction
2.57Å resolution

X-ray structure of Receptor Interacting Protein 1 (RIP1)kinase domain with a 1-aminoisoquinoline inhibitor

Released:
DOI: 10.2210/pdb4neu/pdb
PDB entry 4neu coloured by chain, front view.
PDB entry 4neu coloured by chain, side view.
PDB entry 4neu coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Small Molecule RIP1 Kinase Inhibitors for the Treatment of Pathologies Associated with Necroptosis.
Harris PA, Bandyopadhyay D, Berger SB, Campobasso N, Capriotti CA, Cox JA, Dare L, Finger JN, Hoffman SJ, Kahler KM, Lehr R, Lich JD, Nagilla R, Nolte RT, Ouellette MT, Pao CS, Schaeffer MC, Smallwood A, Sun HH, Swift BA, Totoritis RD, Ward P, Marquis RW, Bertin J, Gough PJ
ACS Med Chem Lett 4 1238-43 (2013)
PMID: 24900635

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-171747 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Receptor-interacting serine/threonine-protein kinase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 333 amino acids
Theoretical weight: 38.21 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q13546 (Residues: 1-324; Coverage: 48%)
Gene names: RIP, RIP1, RIPK1
Sequence domains: Protein tyrosine and serine/threonine kinase
Structure domains: Transferase(Phosphotransferase) domain 1

Ligands and Environments

2 bound ligands:
Ligand MG 1 x MG
Ligand Q1A 2 x Q1A
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: R32
Unit cell:
a: 149.249Å b: 149.249Å c: 187.67Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.183 0.181 0.235
Expression system: Spodoptera frugiperda

Quick links

Citations

26 review citations

Necroptosis and RIPK1-mediated neuroinflammation in CNS diseases.
Yuan et al. (2019)
25 more

25 mentions without citation

RIPK protein kinase family: Atypical lives of typical kinases.
Cuny et al. (2021)
24 more