MolNFT v1 · #147029 · protein
Crystal structure of G6PD in complex with structural NADP
6E08 · Glucose-6-phosphate 1-dehydrogenase: “Crystal structure of G6PD in complex with structural NADP”. X-ray diffraction, 1 ligand (NAP), 4 pockets (best druggability 0.65). MolNFT v1 #147029 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6E08
- Type
- protein
- Length
- 486 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
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49) | protein | 486 | 39% helix, 21% strand | P11413 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains L
- GOL · Glycerol · additive · 5 copies · chains L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 510 | 0.65 | 0.76 | 59 | GOL |
| 2 | 287 | 0.62 | 0.80 | 43 | NAP |
| 3 | 114 | 0.59 | 0.85 | 19 | empty |
| 4 | 70 | 0.32 | 0.75 | 21 | empty |
Compared structures
- 6E08 · Crystal structure of G6PD in complex with structural NADP · the same entry in another collection · chain L against L, 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 L 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 P11413
- Elsewhere: RCSB PDB 6E08 · PDBe 6E08 · UniProt P11413
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