› 4rlp

X-ray diffraction
2.79Å resolution

Human p70s6k1 with ruthenium-based inhibitor FL772

Released:
DOI: 10.2210/pdb4rlp/pdb
PDB entry 4rlp coloured by chain, front view.
PDB entry 4rlp coloured by chain, side view.
PDB entry 4rlp coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Development of organometallic S6K1 inhibitors.
Qin J, Rajaratnam R, Feng L, Salami J, Barber-Rotenberg JS, Domsic J, Reyes-Uribe P, Liu H, Dang W, Berger SL, Villanueva J, Meggers E, Marmorstein R
J Med Chem 58 305-14 (2015)
PMID: 25356520

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

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-149961 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosomal protein S6 kinase beta-1 Chain: A
Molecule details ›
Chain: A
Length: 288 amino acids
Theoretical weight: 32.69 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P23443 (Residues: 85-372; Coverage: 55%)
Gene names: RPS6KB1, STK14A
Sequence domains: Protein kinase domain
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand 72B 1 x 72B
Ligand CL 6 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: C2221
Unit cell:
a: 62.13Å b: 126.371Å c: 110.571Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.208 0.206 0.23
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

The development of anticancer ruthenium(ii) complexes: from single molecule compounds to nanomaterials.
Zeng et al. (2017)
2 more

1 mention without citation

Alpha-Ketoglutarate Alleviates Neuronal Apoptosis Induced by Central Insulin Resistance through Inhibiting S6K1 Phosphorylation after Subarachnoid Hemorrhage.
Ding et al. (2022)