Research workbench
Crystal structure of glutathione transferase (target efi-501058) from ralstonia solanacearum GMI1000 with gsh bound
Analyse Crystal structure of glutathione transferase (target efi-501058) from ralstonia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TOU
- Type
- protein
- Length
- 414 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase protein
- EC
- 2.5.1.18
- UniProt
- Q8XVV6
- Ligands
- GSH
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase protein (EC 2.5.1.18) | protein | 212 | 58% helix, 6% strand | Q8XVV6 |
| B | Glutathione S-transferase protein (EC 2.5.1.18) | protein | 202 | 56% helix, 6% strand | Q8XVV6 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 954 | 0.85 | 0.86 | 81 | GSH, ACT |
| 2 | 210 | 0.51 | 0.76 | 24 | empty |
| 3 | 235 | 0.51 | 0.75 | 27 | empty |
| 4 | 61 | 0.37 | 0.79 | 16 | empty |
| 5 | 69 | 0.35 | 0.77 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1725 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 3TOU · Crystal structure of GLUTATHIONE TRANSFERASE (TARGET EFI-501058) from Ralstonia… · 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 Q8XVV6
- Elsewhere: RCSB PDB 3TOU · PDBe 3TOU · UniProt Q8XVV6
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.