MolNFT v1 · #143660 · protein
Impase (AF2372) R92Q/K164E with 400 mm glutamate
6B66 · Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase: “Impase (AF2372) R92Q/K164E with 400 mm glutamate”. X-ray diffraction, 3 ligands (GLU, MG, SO4), 3 pockets (best druggability 0.68). MolNFT v1 #143660 on GenesisL1: 3D…
- PDB
- 6B66
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase
- EC
- 3.1.3.11, 3.1.3.25
- UniProt
- O30298
- Ligands
- GLU, MG, SO4
- Pockets
- 3 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphatase (EC 3.1.3.11, 3.1.3.25) | protein | 252 | 31% helix, 30% strand | O30298 |
Ligands and binding sites
- GLU · Glutamic acid · ligand · 4 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
- PGE · Triethylene glycol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 436 | 0.68 | 0.80 | 45 | SO4, GOL |
| 2 | 472 | 0.67 | 0.79 | 54 | GOL, SO4 |
| 3 | 116 | 0.34 | 0.72 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1182 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6B66 · IMPase (AF2372) R92Q/K164E with 400 mM Glutamate · the same entry in another collection · chain A against A, TM-score 1.00
- O30298 · AlphaFold monomer V2.0 prediction for fructose-1,6-BISPHOSPHATASE/INOSITOL-1-monophosphata… · a predicted model of the same protein · chain B 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 O30298
- Elsewhere: RCSB PDB 6B66 · PDBe 6B66 · UniProt O30298
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