Research workbench
Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin
Analyse Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GUE
- Type
- protein
- Length
- 286 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
- P18654
- Ligands
- QCT, MG, SO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 286 | 34% helix, 22% strand | P18654 |
Ligands and binding sites
- QCT · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 234 | 0.65 | 0.82 | 28 | QCT |
| 2 | 92 | 0.60 | 0.88 | 24 | empty |
| 3 | 50 | 0.41 | 0.83 | 17 | empty |
| 4 | 97 | 0.36 | 0.75 | 19 | empty |
Compared structures
- 4GUE · Structure of N-terminal kinase domain of RSK2 with flavonoid glycoside quercitrin · the same entry in another collection · chain A against A, TM-score 1.00
- P18654 · AlphaFold monomer V2.0 prediction for ribosomal protein S6 kinase alpha-3 (P18654) · a predicted model of the same protein · chain A against A, TM-score 0.80
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 P18654
- Elsewhere: RCSB PDB 4GUE · PDBe 4GUE · UniProt P18654
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