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RSK2 N-terminal kinase in complex with LJH685

Analyse RSK2 N-terminal kinase in complex with LJH685 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4NUS
Type: protein
Length: 301 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Ribosomal protein S6 kinase alpha-3
EC: 2.7.11.1
UniProt: P51812
Ligands: 2NK
Pockets: 2 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1)	protein	301	38% helix, 17% strand	P51812

Ligands and binding sites

2NK · 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	514	0.70	0.79	54	2NK
2	52	0.33	0.77	11	empty

Compared structures

4NUS · Rsk2 N-terminal kinase in complex with LJH685 · the same entry in another collection · chain A against A, TM-score 1.00
P51812 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-3 (P51812) · a predicted model of the same protein · chain A against A, TM-score 0.94

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P51812
Elsewhere: RCSB PDB 4NUS · PDBe 4NUS · UniProt P51812

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