› 4jg7

X-ray diffraction
3Å resolution

Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide

Released:
DOI: 10.2210/pdb4jg7/pdb
PDB entry 4jg7 coloured by chain, front view.
PDB entry 4jg7 coloured by chain, side view.
PDB entry 4jg7 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: 40.07 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

2 bound ligands:
Ligand 1LC 1 x 1LC
Ligand NA 1 x NA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P41212
Unit cell:
a: 47.66Å b: 47.66Å c: 292.12Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.262 0.259 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

The azaindole framework in the design of kinase inhibitors.
Mérour et al. (2014)
4 more