MolNFT v1 · #85905 · protein
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6
4AQK · Inositol-pentakisphosphate 2-kinase: “Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6”. X-ray diffraction, 4 ligands (IHP, ADP, ZN), 2 pockets (best druggability 0.82). MolNFT v1 #85905 on GenesisL1: 3D…
- PDB
- 4AQK
- Type
- protein
- Length
- 414 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol-pentakisphosphate 2-kinase
- EC
- 2.7.1.158
- UniProt
- Q93YN9
- Ligands
- IHP, ADP, ZN, MG
- Pockets
- 2 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol-pentakisphosphate 2-kinase (EC 2.7.1.158) | protein | 414 | 45% helix, 19% strand | Q93YN9 |
Ligands and binding sites
- IHP · Inositol hexakisphosphate · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1122 | 0.82 | 0.83 | 102 | IHP, ADP, MG |
| 2 | 155 | 0.44 | 0.76 | 25 | empty |
Compared structures
- 4AQK · Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP and IP6 · the same entry in another collection · chain A against A, TM-score 1.00
- Q93YN9 · AlphaFold monomer V2.0 prediction for inositol-pentakisphosphate 2-kinase (Q93YN9) · 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 Q93YN9
- Elsewhere: RCSB PDB 4AQK · PDBe 4AQK · UniProt Q93YN9
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