MolNFT v1 · #108561 · protein
Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor
4WAG · Phosphatidylinositol 4-kinase BETA,PHOSPHATIDYLINOSITOL 4…: “Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor”. X-ray diffraction, 1 ligand (3K7), 5 pockets (best druggability 0.70). MolNFT v1 #108561 on…
- PDB
- 4WAG
- Type
- protein
- Length
- 462 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4-kinase BETA,PHOSPHATIDYLINOSITOL 4- kinase beta
- EC
- 2.7.1.67
- UniProt
- Q9UBF8
- Ligands
- 3K7
- Pockets
- 5 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-kinase BETA,PHOSPHATIDYLINOSITOL 4- kinase beta (EC 2.7.1.67) | protein | 462 | 50% helix, 8% strand | Q9UBF8 |
Ligands and binding sites
- 3K7 · 6-chloro-3-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazin-8-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 599 | 0.70 | 0.79 | 56 | empty |
| 2 | 405 | 0.61 | 0.76 | 41 | 3K7 |
| 3 | 132 | 0.46 | 0.77 | 21 | empty |
| 4 | 59 | 0.31 | 0.76 | 16 | empty |
| 5 | 60 | 0.29 | 0.74 | 15 | empty |
Compared structures
- 4WAG · Phosphatidylinositol 4-kinase III beta crystallized with MI103 inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UBF8 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-kinase beta (Q9UBF8) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9UBF8
- Elsewhere: RCSB PDB 4WAG · PDBe 4WAG · UniProt Q9UBF8
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