Research workbench
RSK2 ctd bound to 2-cyano-3-(1H-indazol-5-YL)ACRYLAMIDE
Analyse RSK2 ctd bound to 2-cyano-3-(1H-indazol-5-YL)ACRYLAMIDE in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4JG6
- 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
- 1LB, NA
- Pockets
- 3 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosomal protein S6 kinase alpha-3 (EC 2.7.11.1) | protein | 302 | 40% helix, 16% strand | P51812 |
Ligands and binding sites
- 1LB · (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide · 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 | 175 | 0.60 | 0.82 | 22 | 1LB |
| 2 | 134 | 0.42 | 0.75 | 17 | empty |
| 3 | 93 | 0.35 | 0.74 | 23 | empty |
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 4JG6 · RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide · 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 0.93
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 4JG6 · PDBe 4JG6 · UniProt P51812
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