› 4nw5

X-ray diffraction
1.94Å resolution

Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8

Released:
DOI: 10.2210/pdb4nw5/pdb
PDB entry 4nw5 coloured by chain, front view.
PDB entry 4nw5 coloured by chain, side view.
PDB entry 4nw5 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors.
Costales A, Mathur M, Ramurthy S, Lan J, Subramanian S, Jain R, Atallah G, Setti L, Lindvall M, Appleton BA, Ornelas E, Feucht P, Warne B, Doyle L, Basham SE, Aronchik I, Jefferson AB, Shafer CM
Bioorg Med Chem Lett 24 1592-6 (2014)
PMID: 24534486

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: 323 amino acids
Theoretical weight: 37.2 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P51812 (Residues: 39-359; Coverage: 43%)
Gene names: ISPK1, MAPKAPK1B, RPS6KA3, RSK2
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 51.83Å b: 60.54Å c: 112.06Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.173 0.219
Expression system: Spodoptera frugiperda

Quick links

Citations

7 citation in other articles

Synthesis and Structure-Activity Relationship Study of 5a-Carbasugar Analogues of SL0101.
Li et al. (2015)
6 more

2 mentions without citation

Activation of RSK by phosphomimetic substitution in the activation loop is prevented by structural constraints.
Somale et al. (2020)
1 more