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The structure of a tau class glutathione S-transferase from wheat, active in herbicide detoxification
Analyse The structure of a tau class glutathione S-transferase from wheat, active in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GWC
- Type
- protein
- Length
- 664 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase tsi-1
- EC
- 2.5.1.18
- UniProt
- O04941
- Ligands
- GTX, SO4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 59% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase tsi-1 (EC 2.5.1.18) | protein | 221 | 59% helix, 9% strand | O04941 |
| C | Glutathione S-transferase tsi-1 (EC 2.5.1.18) | protein | 222 | 59% helix, 9% strand | O04941 |
Ligands and binding sites
- GTX · S-hexylglutathione · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.80 | 0.81 | 95 | GTX, SO4 |
| 2 | 642 | 0.74 | 0.81 | 64 | empty |
| 3 | 380 | 0.63 | 0.78 | 39 | GTX, SO4 |
| 4 | 194 | 0.52 | 0.77 | 33 | empty |
| 5 | 108 | 0.45 | 0.78 | 18 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1068 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 388 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 309 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1GWC · The structure of a tau class glutathione S-transferase from wheat, active in herbicide… · 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 O04941
- Elsewhere: RCSB PDB 1GWC · PDBe 1GWC · UniProt O04941
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