Research workbench
Crystal structure of RIOK2 in complex with CQ211
Analyse Crystal structure of RIOK2 in complex with CQ211 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7VBT
- Type
- protein
- Length
- 586 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase RIO2
- EC
- 2.7.11.1
- UniProt
- Q9BVS4
- Ligands
- 5ZH
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase RIO2 (EC 2.7.11.1) | protein | 300 | 43% helix, 19% strand | Q9BVS4 |
| B | SERINE/THREONINE-protein kinase RIO2 (EC 2.7.11.1) | protein | 286 | 43% helix, 20% strand | Q9BVS4 |
Ligands and binding sites
- 5ZH · 8-(6-methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]-5H-[1,2,3]triazolo[4,5-c]quinolin-4-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 967 | 0.80 | 0.81 | 78 | empty |
| 2 | 439 | 0.71 | 0.81 | 36 | empty |
| 3 | 160 | 0.60 | 0.82 | 22 | 5ZH |
| 4 | 115 | 0.55 | 0.83 | 22 | 5ZH |
| 5 | 193 | 0.52 | 0.78 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 1430 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
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 Q9BVS4
- Elsewhere: RCSB PDB 7VBT · PDBe 7VBT · UniProt Q9BVS4
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