MolNFT v1 · #156572 · protein
Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with rhamnetin
6M8E · Inositol polyphosphate MULTIKINASE,INOSITOL polyphosphate…: “Crystal structure of the core catalytic domain of human inositol phosphate multikinase in complex with…”. X-ray diffraction, 1 ligand (J8G), 2 pockets (best druggability…
- PDB
- 6M8E
- Type
- protein
- Length
- 238 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
- J8G
- Pockets
- 2 · best druggability 0.56
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Inositol polyphosphate MULTIKINASE,INOSITOL polyphosphate multikinase (EC 2.7.1.151) | protein | 238 | 36% helix, 26% strand | Q8NFU5 |
Ligands and binding sites
- J8G · 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-1-benzopyran-4-one · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 194 | 0.56 | 0.79 | 23 | J8G |
| 2 | 171 | 0.51 | 0.78 | 34 | empty |
Compared structures
- 6M8E · 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 6M8E · PDBe 6M8E · UniProt Q8NFU5
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