MolNFT v1 · #5081 · protein
Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from leuconostoc mesenteroides with substrate
1E77 · Glucose 6-phosphate 1-dehydrogenase: “Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from leuconostoc mesenteroides with…”. X-ray diffraction, 2 ligands (BG6, CA), 4 pockets (best druggability 0.63). MolNFT…
- PDB
- 1E77
- Type
- protein
- Length
- 485 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose 6-phosphate 1-dehydrogenase
- EC
- 1.1.1.49
- UniProt
- P11411
- Ligands
- BG6, CA
- Pockets
- 4 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose 6-phosphate 1-dehydrogenase (EC 1.1.1.49) | protein | 485 | 39% helix, 20% strand | P11411 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 204 | 0.63 | 0.83 | 33 | BG6 |
| 2 | 242 | 0.51 | 0.75 | 32 | empty |
| 3 | 83 | 0.35 | 0.75 | 17 | empty |
| 4 | 89 | 0.35 | 0.75 | 14 | empty |
Compared structures
- 1E77 · Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from leuconostoc… · the same entry in another collection · chain A against A, TM-score 1.00
- P11411 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate 1-dehydrogenase (P11411) · a predicted model of the same protein · 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 P11411
- Elsewhere: RCSB PDB 1E77 · PDBe 1E77 · UniProt P11411
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