MolNFT v1 · #99681 · protein
RSK2 T493M C-terminal kinase domain in complex with RMM58
4MAO · Ribosomal protein S6 kinase alpha-3: “RSK2 T493M C-terminal kinase domain in complex with RMM58”. X-ray diffraction, 2 ligands (28D, NA), 3 pockets (best druggability 0.62). MolNFT v1 #99681 on GenesisL1: 3D structure, binding sites…
- PDB
- 4MAO
- Type
- protein
- Length
- 298 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
- 28D, NA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 298 | 41% helix, 17% strand | P18654 |
Ligands and binding sites
- 28D · (2Z)-2-(1H-1,2,4-triazol-1-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]prop-2-enenitrile · ligand · chains A
- NA · Sodium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 242 | 0.62 | 0.81 | 38 | 28D |
| 2 | 135 | 0.42 | 0.75 | 23 | empty |
| 3 | 109 | 0.40 | 0.76 | 26 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4MAO · RSK2 T493M C-Terminal Kinase Domain in Complex with RMM58 · 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 0.94
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 P18654
- Elsewhere: RCSB PDB 4MAO · PDBe 4MAO · UniProt P18654
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