Research workbench
Crystal structure of a putative phosphosugar isomerase (BSU32610) from bacillus subtilis at 1.90 a resolution
Analyse Crystal structure of a putative phosphosugar isomerase (BSU32610) from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EUA
- Type
- protein
- Length
- 2,605 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative fructose-aminoacid-6-phosphate deglycase
- UniProt
- O32157
- Pockets
- 19 · best druggability 0.88
Structure
x-ray diffraction · 5 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative fructose-aminoacid-6-phosphate deglycase | protein | 325 | 54% helix, 15% strand | O32157 |
| B, C, D, E | Putative fructose-aminoacid-6-phosphate deglycase | protein | 324 | 52% helix, 15% strand | O32157 |
| F | Putative fructose-aminoacid-6-phosphate deglycase | protein | 329 | 53% helix, 15% strand | O32157 |
| G | Putative fructose-aminoacid-6-phosphate deglycase | protein | 328 | 53% helix, 14% strand | O32157 |
| H | Putative fructose-aminoacid-6-phosphate deglycase | protein | 327 | 53% helix, 14% strand | O32157 |
Ligands and binding sites
- FLC · Citrate anion · additive · 2 copies · chains C, D, G, H
- GOL · Glycerol · additive · 2 copies · chains C, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 607 | 0.88 | 0.93 | 48 | empty |
| 2 | 626 | 0.88 | 0.93 | 46 | empty |
| 3 | 617 | 0.88 | 0.93 | 46 | empty |
| 4 | 596 | 0.88 | 0.93 | 44 | empty |
| 5 | 973 | 0.82 | 0.84 | 99 | FLC, GOL |
Interfaces
13 interfaces between chains.
- G–H · 3127 Ų buried · 72 hydrogen bonds · protein-protein
- A–B · 3124 Ų buried · 69 hydrogen bonds · protein-protein
- C–D · 3122 Ų buried · 67 hydrogen bonds · protein-protein
- E–F · 3113 Ų buried · 70 hydrogen bonds · protein-protein
- B–E · 661 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 50 modified (engineered).
Compared structures
- 3EUA · Crystal structure of a putative phosphosugar isomerase (BSU32610) from bacillus subtilis… · the same entry in another collection · chain F against F, TM-score 1.00
- O32157 · AlphaFold monomer V2.0 prediction for fructosamine deglycase frlb (O32157) · 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 O32157
- Elsewhere: RCSB PDB 3EUA · PDBe 3EUA · UniProt O32157
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