MolNFT v1 · #34877 · protein
Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with D-mannose
2DTX · Glucose 1-dehydrogenase related protein: “Structure of thermoplasma acidophilum aldohexose dehydrogenase (aldt) in complex with D-mannose”. X-ray diffraction, 2 ligands (BMA, SO4), 3 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 2DTX
- Type
- protein
- Length
- 510 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose 1-dehydrogenase related protein
- EC
- 1.1.1.118
- UniProt
- Q9HK51
- Ligands
- BMA, SO4
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose 1-dehydrogenase related protein (EC 1.1.1.118) | protein | 255 | 48% helix, 15% strand | Q9HK51 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 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 | 683 | 0.76 | 0.82 | 58 | BMA, SO4 |
| 2 | 614 | 0.74 | 0.81 | 54 | BMA, SO4 |
| 3 | 84 | 0.36 | 0.76 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1798 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2DTX · Structure of Thermoplasma acidophilum aldohexose dehydrogenase (AldT) in complex with… · the same entry in another collection · chain A 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 Q9HK51
- Elsewhere: RCSB PDB 2DTX · PDBe 2DTX · UniProt Q9HK51
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