MolNFT v1 · #86135 · protein
Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP
4AXE · Inositol-pentakisphosphate 2-kinase: “Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP”. X-ray diffraction, 3 ligands (ADP, ZN, SO4), 2 pockets (best druggability 0.83). MolNFT v1 #86135 on GenesisL1: 3D structure…
- PDB
- 4AXE
- Type
- protein
- Length
- 428 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
- ADP, ZN, SO4
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol-pentakisphosphate 2-kinase (EC 2.7.1.158) | protein | 428 | 43% helix, 17% strand | Q93YN9 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- ZN · Zinc ion · metal · chains A
- SO4 · Sulfate ion · ion · 6 copies · 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 | 997 | 0.83 | 0.84 | 106 | ADP, SO4 |
| 2 | 57 | 0.28 | 0.74 | 20 | empty |
Compared structures
- 4AXE · Inositol 1,3,4,5,6-pentakisphosphate 2-kinase in complex with ADP · 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 0.97
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 4AXE · PDBe 4AXE · UniProt Q93YN9
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