Research workbench
Dimethyl fumarate is an allosteric covalent inhibitor of the P90 ribosomal S6 kinases
Analyse Dimethyl fumarate is an allosteric covalent inhibitor of the P90 ribosomal S6… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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
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