Research workbench
Crystal structure of human serine threonine kinase-10 (lok) bound to GW830263A
Analyse Crystal structure of human serine threonine kinase-10 (lok) bound to GW830263A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4AOT
- Type
- protein
- Length
- 557 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SERINE/THREONINE-protein kinase 10
- EC
- 2.7.11.1
- UniProt
- O94804
- Ligands
- GW8, CL
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 278 | 39% helix, 19% strand | O94804 |
| B | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 279 | 39% helix, 18% strand | O94804 |
Ligands and binding sites
- GW8 · 1-(4-{methyl[2-({4-[(methylsulfonyl)methyl]phenyl}amino)pyrimidin-4-yl]amino}phenyl)-3-{3-[(4-methylpiperazin-1-yl)carbonyl]phenyl}urea · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 653 | 0.74 | 0.80 | 55 | GW8 |
| 2 | 400 | 0.72 | 0.83 | 45 | GW8 |
| 3 | 734 | 0.71 | 0.77 | 68 | CL |
| 4 | 214 | 0.53 | 0.77 | 29 | CL |
| 5 | 154 | 0.46 | 0.76 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 874 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4AOT · Crystal Structure of Human Serine Threonine Kinase-10 (LOK) Bound to GW830263A · the same entry in another collection · chain A against A, TM-score 1.00
- O94804 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 10 (O94804) · 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 O94804
- Elsewhere: RCSB PDB 4AOT · PDBe 4AOT · UniProt O94804
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