4L3J: Human p70S6K1 kinase domain

Crystal structures of human p70S6K1 kinase domain. Determined by X-ray diffraction at 2.1 Å resolution. Released 24 Jul 2013.

Method: X-ray diffraction
Resolution: 2.1 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,455
Mol. weight: 34.79 kDa
Ligands: 5FI, ZN
Released: 24 Jul 2013

Explore 4L3J in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4L3J contains 16 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: 16 helices, 9 β-strands

Element	Residues	Length	Sheet
α-helix	65-67	3
β-strand	68-76	9	1
β-strand	80-87	8	1
β-strand	96-103	8	1
α-helix	111-126	16
β-strand	132	1	2
α-helix	133-134	2
β-strand	135-140	6	1
β-strand	144-150	7	1
β-strand	156	1	2
α-helix	157-164	8
α-helix	169-188	20
α-helix	198-200	3
β-strand	201-203	3	2
β-strand	209-211	3	2
α-helix	239-243	5
α-helix	250-265	16
α-helix	275-284	10
α-helix	295-304	10
α-helix	309-311	3
α-helix	320-324	5
α-helix	327-329	3
α-helix	334-338	5
α-helix	343-344	2
α-helix	348-350	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
RPS6KB1 protein	A	protein	304	Homo sapiens	P23443 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4L3J_1 RPS6KB1 protein (chains A)
GAMSETSVNRGPEKIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIV
RNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFM
EDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTH
TFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLN
LPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKP
LLQS

Ligands and cofactors

ID	Name	Formula	Copies
5FI	2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benz…	C19 H21 F3 N6	1
ZN	Zinc ion	Zn	1

Primary citation

Crystal structures of S6K1 provide insights into the regulation mechanism of S6K1 by the hydrophobic motif. Wang, J., Zhong, C., Wang, F. et al. Biochem J (2013) 454:39-47. DOI 10.1042/BJ20121863 · 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…
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
4RLP 2.79 Å, Human p70s6k1 with ruthenium-based inhibitor FL772

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