Research workbench
RSK2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Analyse RSK2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4NW6
- Type
- protein
- Length
- 302 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
- 2NS
- Pockets
- 4 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 302 | 35% helix, 17% strand | P51812 |
Ligands and binding sites
- 2NS · 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 173 | 0.60 | 0.82 | 24 | 2NS |
| 2 | 53 | 0.32 | 0.77 | 10 | empty |
| 3 | 54 | 0.26 | 0.74 | 22 | empty |
| 4 | 55 | 0.26 | 0.73 | 18 | empty |
Compared structures
- 4NW6 · Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27 · 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 4NW6 · PDBe 4NW6 · UniProt P51812
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