4JG7: RSK2 CTD

Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide. Determined by X-ray diffraction at 3.0 Å resolution. Released 10 Apr 2013.

Method: X-ray diffraction
Resolution: 3.0 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,384
Mol. weight: 40.41 kDa
Ligands: 1LC
Released: 10 Apr 2013

Explore 4JG7 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4JG7 contains 14 α-helices and 13 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, 13 β-strands

Element	Residues	Length	Sheet
α-helix	418-420	3
β-strand	422-427	6	1
β-strand	436-441	6	1
β-strand	447-454	8	1
α-helix	461-470	10
β-strand	476	1	2
β-strand	479-484	6	1
β-strand	488-494	7	1
β-strand	500	1	2
α-helix	501-505	5
α-helix	513-532	20
β-strand	535-536	2	3
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	3
β-strand	569	1	4
β-strand	575	1	4
α-helix	587-612	26
α-helix	626-635	10
α-helix	643-645	3
α-helix	650-659	10
α-helix	668-669	2
α-helix	670-675	6
α-helix	677-680	4
α-helix	696-710	15

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ribosomal protein S6 kinase alpha-3	A	protein	355	Homo sapiens	P51812 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>4JG7_1 Ribosomal protein S6 kinase alpha-3 (chains A)
AHHHHHHVDDDDKMQTVGVHSIVQQLHRNSIQFTDGYEVKEDIGVGSYSVCKRCIHKATN
MEFAVKIIDKSKRDPTEEIEILLRYGQHPNIITLKDVYDDGKYVYVVTELMKGGELLDKI
LRQKFFSEREASAVLFTITKTVEYLHAQGVVHRDLKPSNILYVDESGNPESIRICDFGFA
KQLRAENGLLMTPCYTANFVAPEVLERQGYDAACDIWSLGVLLYTMLTGYTPFANGPDDT
PEEILARIGSGKFSLSGGYWNSVSDTAKDLVSKMLHVDPHQRLTAALVLRHPWIVHWDQL
PQYQLNRQDAPHLVKGAMAATYSALNRNQSPVLEPVGRSTLAQRRGIKKITSTAL

Ligands and cofactors

ID	Name	Formula	Copies
1LC	(2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide	C18 H14 N4 O2	1

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

Primary citation

Electrophilic fragment-based design of reversible covalent kinase inhibitors. Miller, R.M., Paavilainen, V.O., Krishnan, S. et al. J Am Chem Soc (2013) 135:5298-5301. DOI 10.1021/ja401221b · 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…
4D9U 2.4 Å, Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H…
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

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