› 4nw6

X-ray diffraction
1.74Å resolution

Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27

Released:
DOI: 10.2210/pdb4nw6/pdb
PDB entry 4nw6 coloured by chain, front view.
PDB entry 4nw6 coloured by chain, side view.
PDB entry 4nw6 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 2NS 1 x 2NS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 51.87Å b: 60.53Å c: 112.24Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.165 0.201
Expression system: Spodoptera frugiperda

Quick links

Citations

5 citation in other articles

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

5 mentions without citation

Copaifera of the Neotropics: A Review of the Phytochemistry and Pharmacology.
da Trindade et al. (2018)
4 more