MolNFT v1 · #58160 · protein
Crystal structure of bacillus megaterium glucose dehydrogenase 4 in complex with D-glucose
3AUU · Glucose 1-dehydrogenase 4: “Crystal structure of bacillus megaterium glucose dehydrogenase 4 in complex with D-glucose”. X-ray diffraction, 1 ligand (BGC), 3 pockets (best druggability 0.73). MolNFT v1 #58160 on GenesisL1: 3D…
- PDB
- 3AUU
- 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
- BGC
- Pockets
- 3 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose 1-dehydrogenase 4 (EC 1.1.1.47) | protein | 262 | 53% helix, 15% strand | P39485 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
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 | 526 | 0.73 | 0.81 | 54 | BGC |
| 2 | 561 | 0.73 | 0.80 | 57 | BGC |
| 3 | 51 | 0.30 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1609 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 3AUU · Crystal structure of Bacillus megaterium glucose dehydrogenase 4 in complex with D-glucose · 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 3AUU · PDBe 3AUU · UniProt P39485
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