MolNFT v1 · #151763 · protein
Human STK10 bound to a maleimide inhibitor
6HXF · SERINE/THREONINE-protein kinase 10: “Human STK10 bound to a maleimide inhibitor”. X-ray diffraction, 2 ligands (R70, CL), 9 pockets (best druggability 0.80). MolNFT v1 #151763 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6HXF
- Type
- protein
- Length
- 1,151 residues
- Chains
- 4
- 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
- R70, CL
- Pockets
- 9 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 291 | 42% helix, 17% strand | O94804 |
| A | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 285 | 41% helix, 18% strand | O94804 |
| C | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 288 | 38% helix, 20% strand | O94804 |
| D | SERINE/THREONINE-protein kinase 10 (EC 2.7.11.1) | protein | 287 | 40% helix, 18% strand | O94804 |
Ligands and binding sites
- R70 · 3-(2-methoxyphenyl)-4-[[4-(phenylcarbonyl) phenyl]amino]pyrrole-2,5-dione · ligand · 4 copies · chains B, A, C, D
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 8 copies · chains B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.80 | 0.81 | 113 | CL |
| 2 | 737 | 0.76 | 0.81 | 63 | R70, EDO |
| 3 | 488 | 0.73 | 0.82 | 54 | R70, EDO |
| 4 | 728 | 0.72 | 0.78 | 67 | R70 |
| 5 | 346 | 0.64 | 0.79 | 38 | empty |
Interfaces
6 interfaces between chains.
- B–C · 729 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 534 Ų buried · 9 hydrogen bonds · protein-protein
- B–D · 492 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 193 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 40 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (phosphorylation).
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 6HXF · PDBe 6HXF · UniProt O94804
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