Research workbench
Crystal structure of the catalytic domain of human type II alpha phosphatidylinositol 4-kinase (PI4KIIALPHA) in complex with ADP
Analyse Crystal structure of the catalytic domain of human type II alpha… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HNE
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphatidylinositol 4-kinase type 2-alpha
- EC
- 2.7.1.67
- UniProt
- Q9BTU6
- Ligands
- ADP
- Pockets
- 11 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphatidylinositol 4-kinase type 2-alpha (EC 2.7.1.67) | protein | 353 | 46% helix, 13% strand | Q9BTU6 |
| B | Phosphatidylinositol 4-kinase type 2-alpha (EC 2.7.1.67) | protein | 341 | 45% helix, 11% strand | Q9BTU6 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 418 | 0.71 | 0.82 | 27 | empty |
| 2 | 398 | 0.63 | 0.78 | 47 | ADP |
| 3 | 331 | 0.62 | 0.78 | 49 | ADP |
| 4 | 213 | 0.58 | 0.80 | 30 | empty |
| 5 | 197 | 0.55 | 0.79 | 37 | empty |
Interfaces
1 interface between chains.
- A–B · 593 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4HNE · Crystal structure of the catalytic domain of human type II alpha Phosphatidylinositol… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BTU6 · AlphaFold monomer V2.0 prediction for phosphatidylinositol 4-kinase type 2-alpha (Q9BTU6) · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q9BTU6
- Elsewhere: RCSB PDB 4HNE · PDBe 4HNE · UniProt Q9BTU6
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