› 4rlo

X-ray diffraction
2.53Å resolution

Human p70s6k1 with ruthenium-based inhibitor EM5

Released:
DOI: 10.2210/pdb4rlo/pdb
PDB entry 4rlo coloured by chain, front view.
PDB entry 4rlo coloured by chain, side view.
PDB entry 4rlo 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
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-149964 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Ribosomal protein S6 kinase beta-1 Chains: A, B
Molecule details ›
Chains: A, B
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

6 bound ligands:
Ligand 3T3 1 x 3T3
Ligand GOL 3 x GOL
Ligand CL 6 x CL
Ligand SO4 2 x SO4
Ligand STU 1 x STU
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21
Unit cell:
a: 78.515Å b: 62.882Å c: 86.718Å
α: 90° β: 94.02° γ: 90°
R-values:
R R work R free
0.193 0.192 0.222
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

2 mentions without citation

Overcoming differences: The catalytic mechanism of metallo-β-lactamases.
Meini et al. (2015)
1 more