MolNFT v1 · #80169 · protein
Crystal structure of glutathione transferase (target efi-501058) from ralstonia solanacearum GMI1000
3TOT · Glutathione S-transferase protein: “Crystal structure of glutathione transferase (target efi-501058) from ralstonia solanacearum GMI1000”. X-ray diffraction, 5 pockets (best druggability 0.85). MolNFT v1 #80169 on GenesisL1: 3D…
- PDB
- 3TOT
- 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
- 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
- ACT · Acetate ion · additive · 10 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 | 980 | 0.85 | 0.86 | 79 | ACT |
| 2 | 230 | 0.51 | 0.75 | 26 | empty |
| 3 | 225 | 0.50 | 0.75 | 27 | empty |
| 4 | 59 | 0.38 | 0.80 | 20 | empty |
| 5 | 75 | 0.38 | 0.78 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1733 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3TOT · 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 3TOT · PDBe 3TOT · UniProt Q8XVV6
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