Research workbench
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with INS(1,4,5)P3 and ADP
Analyse Crystal structure of the core catalytic domain of human inositol phosphate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5W2H
- Type
- protein
- Length
- 237 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol polyphosphate MULTIKINASE,INOSITOL polyphosphate multikinase
- EC
- 2.7.1.151
- UniProt
- Q8NFU5
- Ligands
- ADP, I3P, MG, PO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol polyphosphate MULTIKINASE,INOSITOL polyphosphate multikinase (EC 2.7.1.151) | protein | 237 | 36% helix, 27% strand | Q8NFU5 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- I3P · D-myo-inositol-1,4,5-triphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- PO4 · Phosphate ion · ion · 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 | 224 | 0.54 | 0.77 | 22 | MG, ADP |
| 2 | 117 | 0.41 | 0.76 | 18 | MG, I3P |
Compared structures
- 5W2H · Crystal structure of the core catalytic domain of human inositol phosphate multikinase in… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8NFU5 · AlphaFold monomer V2.0 prediction for inositol polyphosphate multikinase (Q8NFU5) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8NFU5
- Elsewhere: RCSB PDB 5W2H · PDBe 5W2H · UniProt Q8NFU5
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