Research workbench
Crystal structure of bacillus megaterium glucose dehydrogenase 4 in complex with NADH
Analyse Crystal structure of bacillus megaterium glucose dehydrogenase 4 in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AUT
- Type
- protein
- Length
- 524 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose 1-dehydrogenase 4
- EC
- 1.1.1.47
- UniProt
- P39485
- Ligands
- NAI
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 55% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose 1-dehydrogenase 4 (EC 1.1.1.47) | protein | 262 | 55% helix, 15% strand | P39485 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 541 | 0.74 | 0.82 | 57 | NAI |
| 2 | 653 | 0.73 | 0.80 | 63 | empty |
Interfaces
1 interface between chains.
- A–B · 1604 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 3AUT · Crystal structure of Bacillus megaterium glucose dehydrogenase 4 in complex with NADH · the same entry in another collection · chain A against A, TM-score 1.00
- P39485 · AlphaFold monomer V2.0 prediction for glucose 1-dehydrogenase 4 (P39485) · 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 P39485
- Elsewhere: RCSB PDB 3AUT · PDBe 3AUT · UniProt P39485
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