4D9U: Ribosomal protein S6 kinase alpha-3

Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate. Determined by X-ray diffraction at 2.4 Å resolution. Released 11 Apr 2012.

Method: X-ray diffraction
Resolution: 2.4 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,467
Mol. weight: 38.94 kDa
Ligands: 0JH
Released: 11 Apr 2012

Explore 4D9U in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4D9U contains 18 α-helices and 15 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: 18 helices, 15 β-strands

Element	Residues	Length	Sheet
α-helix	412-414	3
α-helix	418-421	4
β-strand	422-430	9	1
β-strand	434-441	8	1
β-strand	446-454	9	1
α-helix	461-470	10
β-strand	476	1	2
β-strand	479-484	6	1
β-strand	488-494	7	1
α-helix	495-496	2
β-strand	500	1	2
α-helix	501-506	6
β-strand	512	1	3
α-helix	513-532	20
β-strand	535-536	2	4
α-helix	542-544	3
β-strand	545-547	3	2
α-helix	554-556	3
β-strand	557-559	3	2
β-strand	566-567	2	4
β-strand	569	1	5
β-strand	575	1	5
α-helix	589-613	25
α-helix	626-635	10
α-helix	643-645	3
α-helix	650-660	11
α-helix	668-669	2
α-helix	670-673	4
α-helix	677-680	4
α-helix	682-684	3
β-strand	689	1	3
α-helix	690	1
α-helix	696-710	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ribosomal protein S6 kinase alpha-3	A	protein	342	Homo sapiens	P51812 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4D9U_1 Ribosomal protein S6 kinase alpha-3 (chains A)
MQTVGVHSIVQQLHRNSIQFTDGYEVKEDIGVGSYSVCKRCIHKATNMEFAVKIIDKSKR
DPTEEIEILLRYGQHPNIITLKDVYDDGKYVYVVTELMKGGELLDKILRQKFFSEREASA
VLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFAKQLRAENGLLMTP
CYTANFVAPEVLERQGYDAACDIWSLGVLLYTMLTGYTPFANGPDDTPEEILARIGSGKF
SLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWIVHWDQLPQYQLNRQDAPHL
VKGAMAATYSALNRNQSPVLEPVGRSTLAQRRGIKKITSTAL

Ligands and cofactors

ID	Name	Formula	Copies
0JH	tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,…	C24 H29 N5 O3	1

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

Primary citation

Reversible targeting of noncatalytic cysteines with chemically tuned electrophiles. Serafimova, I.M., Pufall, M.A., Krishnan, S. et al. Nat Chem Biol (2012) 8:471-476. DOI 10.1038/nchembio.925 · PubMed

Other PDB entries of the same protein (UniProt P51812 (AlphaFold model), which also has an AlphaFold model), best resolution first:

4NW6 1.74 Å, Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
8EQ5 1.8 Å, Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)
4NW5 1.94 Å, Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
5D9L 2.15 Å, Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
8R58 2.31 Å, The RSK 2 N-terminal kinase domain in complex with BMF (1-19)
4NUS 2.39 Å, Rsk2 N-terminal kinase in complex with LJH685
4D9T 2.4 Å, Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl…
5D9K 2.55 Å, Rsk2 N-terminal Kinase in Complex with BI-D1870
4JG6 2.6 Å, RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide
8XEY 2.65 Å, The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
7OPO 2.75 Å, RSK2 N-terminal kinase domain in complex with ORF45
4JG7 3.0 Å, Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyano…

Browse structure collections

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