MolNFT v1 · #144321 · protein
Human PI4KIIIA lipid kinase complex
6BQ1 · Phosphatidylinositol 4-kinase III alpha (PI4KA): “Human PI4KIIIA lipid kinase complex”. Electron microscopy, 1 ligand (E4S), 20 pockets (best druggability 0.83). MolNFT v1 #144321 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6BQ1
- Type
- protein
- Length
- 5,003 residues
- Chains
- 6
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4-kinase III alpha (PI4KA); Tetratricopeptide repeat protein 7B…
- EC
- 2.7.1.67
- UniProt
- P42356, Q86TV6, Q9BYI3
- Ligands
- E4S
- Pockets
- 20 · best druggability 0.83
Structure
electron microscopy · 4 distinct chains · 65% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-kinase III alpha (PI4KA) (EC 2.7.1.67) | protein | 1509 | 65% helix, 2% strand | P42356 |
| B, F | Tetratricopeptide repeat protein 7B | protein | 728 | 71% helix, 0% strand | Q86TV6 |
| C, G | Protein FAM126A | protein | 264 | 52% helix, 2% strand | Q9BYI3 |
| E | Phosphatidylinositol 4-kinase III alpha (PI4KA) (EC 2.7.1.67) | protein | 1510 | 65% helix, 2% strand | P42356 |
Ligands and binding sites
- E4S · 5-{2-amino-1-[4-(morpholin-4-yl)phenyl]-1H-benzimidazol-6-yl}-N-(2-fluorophenyl)-2-methoxypyridine-3-sulfonamide · ligand · 2 copies · chains A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1022 | 0.83 | 0.84 | 99 | empty |
| 2 | 1064 | 0.83 | 0.84 | 98 | empty |
| 3 | 1021 | 0.80 | 0.82 | 81 | empty |
| 4 | 499 | 0.80 | 0.87 | 72 | empty |
| 5 | 1061 | 0.80 | 0.81 | 107 | empty |
Interfaces
6 interfaces between chains.
- A–E · 3832 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 2971 Ų buried · 31 hydrogen bonds · protein-protein
- F–G · 2959 Ų buried · 23 hydrogen bonds · protein-protein
- E–F · 2146 Ų buried · 14 hydrogen bonds · protein-protein
- A–B · 2003 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 6BQ1 · Human PI4KIIIa lipid kinase complex · the same entry in another collection · chain G against G, TM-score 1.00
- Q9BYI3 · AlphaFold monomer V2.0 prediction for hyccin (Q9BYI3) · a predicted model of the same protein · chain C against A, TM-score 0.93
- Q86TV6 · AlphaFold monomer V2.0 prediction for tetratricopeptide repeat protein 7B (Q86TV6) · a predicted model of the same protein · chain B against A, TM-score 0.92
- P42356 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-kinase alpha (P42356) · a predicted model of the same protein · chain A against A, TM-score 0.91
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 P42356
- Every structure of UniProt Q86TV6
- Every structure of UniProt Q9BYI3
- Elsewhere: RCSB PDB 6BQ1 · PDBe 6BQ1 · UniProt P42356 · UniProt Q86TV6 · UniProt Q9BYI3
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