› 4jg8

X-ray diffraction
3.1Å resolution

Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide

Released:
DOI: 10.2210/pdb4jg8/pdb
PDB entry 4jg8 coloured by chain, front view.
PDB entry 4jg8 coloured by chain, side view.
PDB entry 4jg8 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Electrophilic fragment-based design of reversible covalent kinase inhibitors.
Miller RM, Paavilainen VO, Krishnan S, Serafimova IM, Taunton J
J Am Chem Soc 135 5298-301 (2013)
PMID: 23540679

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-156422 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosomal protein S6 kinase alpha-3 Chain: A
Molecule details ›
Chain: A
Length: 355 amino acids
Theoretical weight: 40.1 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P51812 (Residues: 399-740; Coverage: 46%)
Gene names: ISPK1, MAPKAPK1B, RPS6KA3, RSK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 1LE 1 x 1LE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P41212
Unit cell:
a: 46.35Å b: 46.35Å c: 292.36Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.237 0.298
Expression system: Escherichia coli

Quick links

Citations

36 review citations

Kinase inhibitors: the road ahead.
Ferguson et al. (2018)
35 more

5 mentions without citation

An update on the discovery and development of reversible covalent inhibitors.
Faridoon et al. (2023)
4 more