MolNFT v1 · #125225 · protein
SERINE/THREONINE-protein kinase 40 (STK40) kinase homology domain
5L2Q: “SERINE/THREONINE-protein kinase 40 (STK40) kinase homology domain”. X-ray diffraction, 18 pockets (best druggability 0.80). MolNFT v1 #125225 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5L2Q
- 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 40
- EC
- 2.7.11.1
- UniProt
- Q8N2I9
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | SERINE/THREONINE-protein kinase 40 (EC 2.7.11.1) | protein | 282 | 38% helix, 16% strand | Q8N2I9 |
| B | SERINE/THREONINE-protein kinase 40 (EC 2.7.11.1) | protein | 282 | 37% helix, 18% strand | Q8N2I9 |
| A | SERINE/THREONINE-protein kinase 40 (EC 2.7.11.1) | protein | 293 | 33% helix, 20% strand | Q8N2I9 |
| D | SERINE/THREONINE-protein kinase 40 (EC 2.7.11.1) | protein | 294 | 33% helix, 21% strand | Q8N2I9 |
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 784 | 0.80 | 0.83 | 87 | empty |
| 2 | 490 | 0.67 | 0.79 | 67 | empty |
| 3 | 273 | 0.61 | 0.79 | 34 | empty |
| 4 | 175 | 0.59 | 0.82 | 24 | empty |
| 5 | 115 | 0.56 | 0.84 | 22 | empty |
Interfaces
3 interfaces between chains.
- C–B · 736 Ų buried · 7 hydrogen bonds · protein-protein
- A–D · 658 Ų buried · 5 hydrogen bonds · protein-protein
- B–A · 614 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 5L2Q · Serine/threonine-protein kinase 40 (STK40) kinase homology domain · the same entry in another collection · chain D against D, TM-score 1.00
- Q8N2I9 · AlphaFold monomer V2.0 prediction for SERINE/THREONINE-protein kinase 40 (Q8N2I9) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q8N2I9
- Elsewhere: RCSB PDB 5L2Q · PDBe 5L2Q · UniProt Q8N2I9
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