MolNFT v1 · #107961 · protein
Human STK10 (lok) with sb-633825
4USE · SERINE/THREONINE-protein kinase 10: “Human STK10 (lok) with sb-633825”. X-ray diffraction, 1 ligand (R09), 6 pockets (best druggability 0.68). MolNFT v1 #107961 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4USE
- Type
- protein
- Length
- 564 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
- R09
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 286 | 42% helix, 15% strand | O94804 |
| B | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 278 | 44% helix, 13% strand | O94804 |
Ligands and binding sites
- R09 · 4-{5-(6-methoxynaphthalen-2-yl)-1-methyl-2-[2-methyl-4-(methylsulfonyl)phenyl]-1H-imidazol-4-yl}pyridine · ligand · 2 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 472 | 0.68 | 0.79 | 50 | R09 |
| 2 | 372 | 0.68 | 0.80 | 39 | R09 |
| 3 | 229 | 0.48 | 0.74 | 34 | empty |
| 4 | 229 | 0.47 | 0.73 | 31 | empty |
| 5 | 66 | 0.34 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 218 Ų buried · 2 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 O94804
- Elsewhere: RCSB PDB 4USE · PDBe 4USE · UniProt O94804
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