Research workbench
Crystal structure of the Y10F mutant of the gluathione S-transferase from schistosoma haematobium
Analyse Crystal structure of the Y10F mutant of the gluathione S-transferase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2F8F
- Type
- protein
- Length
- 406 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase 28 kda
- EC
- 2.5.1.18
- UniProt
- P30113
- Ligands
- GSH
- Pockets
- 3 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase 28 kda (EC 2.5.1.18) | protein | 203 | 55% helix, 10% strand | P30113 |
| B | Glutathione S-transferase 28 kda (EC 2.5.1.18) | protein | 203 | 57% helix, 10% strand | P30113 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 966 | 0.83 | 0.84 | 102 | GSH |
| 2 | 184 | 0.49 | 0.76 | 37 | empty |
| 3 | 50 | 0.33 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1194 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 2F8F · Crystal structure of the Y10F mutant of the gluathione s-transferase from schistosoma… · the same entry in another collection · chain A against A, TM-score 1.00
- P30113 · AlphaFold monomer V2.0 prediction for glutathione S-transferase class-mu 28 kda isozyme… · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P30113
- Elsewhere: RCSB PDB 2F8F · PDBe 2F8F · UniProt P30113
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