MolNFT v1 · #23443 · protein
Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate
1U0F · Glucose-6-phosphate isomerase: “Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate”. X-ray diffraction, 3 ligands (G6Q, G6P, SO4), 13 pockets (best druggability 0.77). MolNFT v1 #23443 on…
- PDB
- 1U0F
- Type
- protein
- Length
- 1,112 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase
- EC
- 5.3.1.9
- UniProt
- P06745
- Ligands
- G6Q, G6P, SO4
- Pockets
- 13 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 556 | 56% helix, 13% strand | P06745 |
Ligands and binding sites
- G6Q · Glucose-6-phosphate · ligand · chains A, B
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
- GOL · Glycerol · additive · 12 copies · chains A, B
- BME · Beta-mercaptoethanol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1043 | 0.77 | 0.79 | 65 | GOL |
| 2 | 420 | 0.71 | 0.82 | 49 | SO4 |
| 3 | 377 | 0.69 | 0.82 | 49 | G6P, G6Q |
| 4 | 84 | 0.43 | 0.80 | 18 | empty |
| 5 | 154 | 0.42 | 0.74 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 6724 Ų buried · 83 hydrogen bonds · protein-protein
Compared structures
- 1U0F · Crystal structure of mouse phosphoglucose isomerase in complex with glucose 6-phosphate · the same entry in another collection · chain A against A, TM-score 1.00
- P06745 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P06745) · 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 P06745
- Elsewhere: RCSB PDB 1U0F · PDBe 1U0F · UniProt P06745
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