4RLP: P70S6K1

Human p70s6k1 with ruthenium-based inhibitor FL772. Determined by X-ray diffraction at 2.79 Å resolution. Released 21 Jan 2015.

Method: X-ray diffraction
Resolution: 2.79 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,114
Mol. weight: 33.62 kDa
Ligands: 72B
Released: 21 Jan 2015

Explore 4RLP in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4RLP contains 13 α-helices and 9 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 13 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	88-90	3
β-strand	91-99	9	1
β-strand	103-110	8	1
β-strand	119-125	7	1
α-helix	145-148	4
β-strand	155	1	2
β-strand	158-164	7	1
β-strand	167-173	7	1
β-strand	178-179	2	2
α-helix	180-186	7
α-helix	192-211	20
β-strand	224-226	3	2
β-strand	232-234	3	2
α-helix	262-265	4
α-helix	273-288	16
α-helix	298-307	10
α-helix	318-327	10
α-helix	332-334	3
α-helix	343-347	5
α-helix	350-352	3
α-helix	357-361	5
α-helix	366-367	2

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
p70S6K1	A	protein	288	Homo sapiens	P23443 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4RLP_1 p70S6K1 (chains A)
KIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAER
NILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISM
ALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTHTFCGTIEYMAPEI
LMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLL
KKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPL

Ligands and cofactors

ID	Name	Formula	Copies
72B	[(amino-kappaN)methanethiolato](3-fluoro-9-methoxypyrido[2,3-a]pyrrolo[3,4-c]ca…	C27 H29 F N5 O3 Ru S4	1

Water and common crystallization additives (CL) are not listed.

Primary citation

Development of Organometallic S6K1 Inhibitors. Qin, J., Rajaratnam, R., Feng, L. et al. J Med Chem (2015) 58:305-314. DOI 10.1021/jm5011868 · PubMed

Other PDB entries of the same protein (UniProt P23443 (AlphaFold model), which also has an AlphaFold model), best resolution first:

5WBH 1.75 Å, Structure of the FRB domain of mTOR bound to a substrate recruitment peptide of S6K1
3WF7 1.85 Å, Crystal structure of S6K1 kinase domain in complex with a purine derivative…
3WF8 1.98 Å, Crystal structure of S6K1 kinase domain in complex with a quinoline derivative…
3WE4 2.0 Å, Crystal structure of S6K1 kinase domain in complex with a pyrimidine derivative…
3WF6 2.03 Å, Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative…
3WF9 2.04 Å, Crystal structure of S6K1 kinase domain in complex with a quinoline derivative…
3WF5 2.1 Å, Crystal structure of S6K1 kinase domain in complex with a pyrazolopyrimidine derivative…
4L3J 2.1 Å, Crystal structures of human p70S6K1 kinase domain
4L3L 2.1 Å, Crystal structures of human p70S6K1 kinase domain (Zinc anomalous)
3A62 2.35 Å, Crystal structure of phosphorylated p70S6K1
4RLO 2.53 Å, Human p70s6k1 with ruthenium-based inhibitor EM5
7N93 2.74 Å, P70 S6K1 in complex with MSC2363318A-1

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