Research workbench
X-ray structure of human glucose-6-phosphate dehydrogenase (deletion variant) complexed with glucose-6-phosphate
Analyse X-ray structure of human glucose-6-phosphate dehydrogenase (deletion variant)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2BHL
- Type
- protein
- Length
- 958 residues
- Chains
- 2
- 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
- BG6
- Pockets
- 12 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate 1-dehydrogenase (EC 1.1.1.49) | protein | 479 | 37% helix, 22% strand | P11413 |
Ligands and binding sites
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 606 | 0.67 | 0.77 | 51 | BG6 |
| 2 | 500 | 0.66 | 0.77 | 50 | BG6 |
| 3 | 262 | 0.65 | 0.82 | 40 | empty |
| 4 | 221 | 0.60 | 0.80 | 28 | empty |
| 5 | 185 | 0.57 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 2601 Ų buried · 48 hydrogen bonds · protein-protein
Compared structures
- 2BHL · X-ray structure of human glucose-6-phosphate dehydrogenase (deletion variant) complexed… · 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 B 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 P11413
- Elsewhere: RCSB PDB 2BHL · PDBe 2BHL · UniProt P11413
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