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Crystal structure of glycosyltrehalose trehalohydrolase (D252S) complexed with maltotriosyltrehalose
Analyse Crystal structure of glycosyltrehalose trehalohydrolase (D252S) complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3VGF
- Type
- protein
- Length
- 555 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Malto-oligosyltrehalose trehalohydrolase
- EC
- 3.2.1.141
- UniProt
- Q55088
- Ligands
- GLC
- Pockets
- 3 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Malto-oligosyltrehalose trehalohydrolase (EC 3.2.1.141) | protein | 555 | 30% helix, 24% strand | Q55088 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 3 copies · chains A
- GOL · Glycerol · additive · 6 copies · chains A
- FLC · Citrate anion · additive · chains A
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 | 493 | 0.67 | 0.78 | 45 | GLC |
| 2 | 252 | 0.61 | 0.80 | 25 | empty |
| 3 | 82 | 0.41 | 0.78 | 16 | GOL |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3VGF · Crystal structure of glycosyltrehalose trehalohydrolase (D252S) complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q55088 · AlphaFold monomer V2.0 prediction for malto-oligosyltrehalose trehalohydrolase (Q55088) · a predicted model of the same protein · 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 Q55088
- Elsewhere: RCSB PDB 3VGF · PDBe 3VGF · UniProt Q55088
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