Research workbench
Fasciola hepatica sigma class GST
Analyse Fasciola hepatica sigma class GST in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2WDU
- Type
- protein
- Length
- 420 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase sigma class
- EC
- 2.5.1.18
- UniProt
- Q06A71
- Ligands
- GDS, GSH, BR
- Pockets
- 1 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione transferase sigma class (EC 2.5.1.18) | protein | 210 | 60% helix, 10% strand | Q06A71 |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 2 copies · chains A, B
- GSH · Glutathione · ligand · 2 copies · chains A, B
- BR · Bromide ion · ion · 8 copies · chains A, B
- DMS · Dimethyl sulfoxide · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1077 | 0.78 | 0.80 | 84 | GDS, GSH, DMS |
Interfaces
1 interface between chains.
- A–B · 1486 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 2WDU · Fasciola hepatica sigma class GST · 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 Q06A71
- Elsewhere: RCSB PDB 2WDU · PDBe 2WDU · UniProt Q06A71
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