4NW6: Rsk2 N-terminal kinase

Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27. Determined by X-ray diffraction at 1.74 Å resolution. Released 19 Feb 2014.

Method: X-ray diffraction
Resolution: 1.74 Å
Organism: Homo sapiens
Chains: 1
Atoms: 2,815
Mol. weight: 37.62 kDa
Ligands: 2NS
Released: 19 Feb 2014

Explore 4NW6 in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

4NW6 contains 16 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: 16 helices, 13 β-strands

Element	Residues	Length	Sheet
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	109-124	16
β-strand	130	1	2
α-helix	131-132	2
β-strand	133-139	7	1
β-strand	142-148	7	1
β-strand	154	1	2
α-helix	155-162	8
α-helix	167-186	20
β-strand	190	1	3
α-helix	196-198	3
β-strand	199-201	3	2
β-strand	207-209	3	2
β-strand	216	1	3
β-strand	225	1	4
α-helix	232-234	3
α-helix	237-240	4
β-strand	245	1	4
α-helix	249-263	15
α-helix	273-282	10
α-helix	293-302	10
α-helix	307-309	3
α-helix	319-322	4
α-helix	325-327	3
α-helix	332-336	5
α-helix	341-342	2

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

>4NW6_1 Ribosomal protein S6 kinase alpha-3 (chains A)
GPNPQTEEVSIKEIAITHHVKEGHEKADPSQFELLKVLGQGSFGKVFLVKKISGSDARQL
YAMKVLKKATLKVRDRVRTKMERDILVEVNHPFIVKLHYAFQTEGKLYLILDFLRGGDLF
TRLSKEVMFTEEDVKFYLAELALALDHLHSLGIIYRDLKPENILLDEEGHIKLTDFGLSK
ESIDHEKKAYSFCGTVEYMAPEVVNRRGHTQSADWWSFGVLMFEMLTGTLPFQGKDRKET
MTMILKAKLGMPQFLSPEAQSLLRMLFKRNPANRLGAGPDGVEEIKRHSFFSTIDWNKLY
RREIHPPFKPATGRPEDTFYFDP

Ligands and cofactors

ID	Name	Formula	Copies
2NS	7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine	C23 H20 N4 O4	1

Primary citation

2-Amino-7-substituted benzoxazole analogs as potent RSK2 inhibitors. Costales, A., Mathur, M., Ramurthy, S. et al. Bioorg Med Chem Lett (2014) 24:1592-1596. DOI 10.1016/j.bmcl.2014.01.058 · PubMed

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

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
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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