Research workbench
Crystal structure of L-talarate/galactarate dehydratase from Salmonella typhimurium LT2
Analyse Crystal structure of L-talarate/galactarate dehydratase from Salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PP0
- Type
- protein
- Length
- 1,185 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Salmonella typhimurium
- Molecule
- L-talarate/Galactarate Dehydratase
- UniProt
- Q8ZL58
- Pockets
- 9 · best druggability 0.82
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | L-talarate/Galactarate Dehydratase | protein | 395 | 40% helix, 21% strand | Q8ZL58 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1161 | 0.82 | 0.83 | 72 | empty |
| 2 | 926 | 0.80 | 0.82 | 95 | empty |
| 3 | 127 | 0.62 | 0.86 | 31 | GOL |
| 4 | 131 | 0.60 | 0.85 | 32 | GOL |
| 5 | 130 | 0.58 | 0.84 | 29 | GOL |
Interfaces
3 interfaces between chains.
- B–C · 3057 Ų buried · 47 hydrogen bonds · protein-protein
- A–C · 467 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 79 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2PP0 · Crystal structure of L-TALARATE/GALACTARATE dehydratase from salmonella typhimurium LT2 · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZL58 · AlphaFold monomer V2.0 prediction for L-TALARATE/GALACTARATE dehydratase (Q8ZL58) · 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 Q8ZL58
- Elsewhere: RCSB PDB 2PP0 · PDBe 2PP0 · UniProt Q8ZL58
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