MolNFT v1 · #8727 · protein
Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from L. mesenteroides with coenzyme NADP
1H9A · Glucose 6-phosphate 1-dehydrogenase: “Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from L. mesenteroides with coenzyme…”. X-ray diffraction, 2 ligands (NAP, SO4), 7 pockets (best druggability 0.61). MolNFT…
- PDB
- 1H9A
- 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
- NAP, SO4
- Pockets
- 7 · best druggability 0.61
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
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 288 | 0.61 | 0.79 | 43 | SO4 |
| 2 | 135 | 0.41 | 0.74 | 21 | empty |
| 3 | 87 | 0.38 | 0.77 | 14 | empty |
| 4 | 51 | 0.34 | 0.79 | 17 | empty |
| 5 | 61 | 0.33 | 0.76 | 15 | empty |
Compared structures
- 1H9A · Complex of active mutant (Q365->C) of glucose 6-phosphate dehydrogenase from L.… · 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 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 P11411
- Elsewhere: RCSB PDB 1H9A · PDBe 1H9A · UniProt P11411
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