MolNFT v1 · #128810 · protein
Dimethyl fumarate is an allosteric covalent inhibitor of the P90 ribosomal S6 kinases
5O1S · Ribosomal protein S6 kinase alpha-3: “Dimethyl fumarate is an allosteric covalent inhibitor of the P90 ribosomal S6 kinases”. X-ray diffraction, 2 ligands (9HB, NA), 3 pockets (best druggability 0.59). MolNFT v1 #128810 on…
- PDB
- 5O1S
- Type
- protein
- Length
- 290 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
- 9HB, NA
- Pockets
- 3 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 290 | 43% helix, 17% strand | P18654 |
Ligands and binding sites
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 | 177 | 0.59 | 0.81 | 21 | 9HB |
| 2 | 140 | 0.44 | 0.76 | 21 | 9HB |
| 3 | 118 | 0.41 | 0.75 | 24 | empty |
Modifications
Observed in the structure: 2 covalent (covalent ligand).
Compared structures
- 5O1S · Dimethyl fumarate is an allosteric covalent inhibitor of the p90 ribosomal S6 kinases · 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 0.95
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 5O1S · PDBe 5O1S · UniProt P18654
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.