4L42: Human p70S6K1-PIF

Crystal structures of human p70S6K1-PIF. Determined by X-ray diffraction at 2.8 Å resolution. Released 24 Jul 2013.

Method: X-ray diffraction
Resolution: 2.8 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,465
Mol. weight: 40.5 kDa
Ligands: ZN, 5FI
Released: 24 Jul 2013

Explore 4L42 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4L42 contains 14 α-helices and 11 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: 14 helices, 11 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	104-108	5
α-helix	111-126	16
β-strand	129	1	2
β-strand	132	1	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
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	320-325	6
α-helix	327-329	3
α-helix	334-338	5
α-helix	386-388	3
β-strand	390-391	2	1

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
RPS6KB1 protein	A	protein	346	Homo sapiens	P23443 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4L42_1 RPS6KB1 protein (chains A)
GAMSETSVNRGPEKIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIV
RNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFM
EDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDGTVTH
TFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLN
LPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKP
LLQSEEDVSQFDSKFTRQTPVDSPDDSTLSEEEQEMFRDFEYIADW

Ligands and cofactors

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

Water and common crystallization additives (SO4) are not listed.

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…
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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