MolNFT v1 · #167084 · protein
Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+
6VA9 · Glucose-6-phosphate 1-dehydrogenase: “Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with catalytic NADP+”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.71). MolNFT v1 #167084 on…
- PDB
- 6VA9
- Type
- protein
- Length
- 431 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
- P11413
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49) | protein | 431 | 40% helix, 19% strand | P11413 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.71 | 0.81 | 71 | NAP |
| 2 | 59 | 0.55 | 0.89 | 16 | empty |
| 3 | 52 | 0.27 | 0.74 | 10 | empty |
Compared structures
- 6VA9 · Crystal structure of glucose-6-phosphate dehydrogenase R393H mutant in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P11413 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate 1-dehydrogenase (P11413) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 P11413
- Elsewhere: RCSB PDB 6VA9 · PDBe 6VA9 · UniProt P11413
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