5D9L: Rsk2 N-terminal Kinase

Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole. Determined by X-ray diffraction at 2.15 Å resolution. Released 2 Sept 2015.

Method: X-ray diffraction
Resolution: 2.15 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,602
Mol. weight: 37.55 kDa
Ligands: 583
Released: 2 Sept 2015

Explore 5D9L in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

5D9L contains 19 α-helices and 14 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: 19 helices, 14 β-strands

Element	Residues	Length	Sheet
α-helix	50-54	5
α-helix	60	1
β-strand	61-62	2	1
α-helix	65-67	3
β-strand	68-76	9	1
β-strand	81-87	7	1
β-strand	96-103	8	1
α-helix	104-106	3
β-strand	109-110	2	2
β-strand	113-114	2	2
α-helix	117-120	4
β-strand	130	1	3
β-strand	133-138	6	1
β-strand	142-147	6	1
β-strand	154	1	3
α-helix	155-162	8
α-helix	167-186	20
β-strand	189-191	3	4
α-helix	196-198	3
β-strand	199-201	3	3
β-strand	207-209	3	3
β-strand	214-216	3	4
α-helix	232-234	3
α-helix	237-240	4
α-helix	247-263	17
α-helix	273-282	10
α-helix	283-285	3
α-helix	293-302	10
α-helix	319-322	4
α-helix	325-327	3
α-helix	332-336	5
α-helix	341-342	2
α-helix	351-353	3

Molecules and chains

Molecule	Chains	Type	Length	Organism	UniProt
Ribosomal protein S6 kinase alpha-3	A	protein	323	Homo sapiens	P51812 (AlphaFold model)

Sequence of entity 1 (A), FASTA

>5D9L_1 Ribosomal protein S6 kinase alpha-3 (chains A)
GPNPQTEEVSIKEIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQL
YAMKVLKKATLKVRDRVRTKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLF
TRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSK
ESIDHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKET
MTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLY
RREIHPPFKPATGRPEDTFYFDP

Ligands and cofactors

ID	Name	Formula	Copies
583	4,4'-(1H-pyrazole-3,4-diyl)diphenol	C15 H12 N2 O2	1

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

Primary citation

Discovery of Potent and Selective RSK Inhibitors as Biological Probes. Jain, R., Mathur, M., Lan, J. et al. J Med Chem (2015) 58:6766-6783. DOI 10.1021/acs.jmedchem.5b00450 · 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
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
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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