MolNFT v1 · #76805 · protein
L-myo-inositol 1-phosphate synthase from archaeoglobus fulgidus mutant K278A
3QVW · Myo-inositol-1-phosphate synthase (INO1): “L-myo-inositol 1-phosphate synthase from archaeoglobus fulgidus mutant K278A”. X-ray diffraction, 3 ligands (NAD, NA, PO4), 3 pockets (best druggability 0.86). MolNFT v1 #76805 on…
- PDB
- 3QVW
- Type
- protein
- Length
- 392 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Myo-inositol-1-phosphate synthase (INO1)
- EC
- 5.5.1.4
- UniProt
- O28480
- Ligands
- NAD, NA, PO4
- Pockets
- 3 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Myo-inositol-1-phosphate synthase (INO1) (EC 5.5.1.4) | protein | 392 | 48% helix, 17% strand | O28480 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · chains A
- NA · Sodium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 332 | 0.86 | 0.96 | 57 | NAD, PO4, GOL |
| 2 | 195 | 0.58 | 0.80 | 31 | empty |
| 3 | 219 | 0.51 | 0.76 | 31 | empty |
Compared structures
- 3QVW · L-myo-inositol 1-phosphate synthase from Archaeoglobus fulgidus mutant K278A · the same entry in another collection · chain A against A, TM-score 1.00
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 O28480
- Elsewhere: RCSB PDB 3QVW · PDBe 3QVW · UniProt O28480
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