MolNFT v1 · #36816 · protein
Fasciola hepatica glutathione S-transferase isoform 1 in complex with glutathione
2FHE: “Fasciola hepatica glutathione S-transferase isoform 1 in complex with glutathione”. X-ray diffraction, 1 ligand (GSH), 2 pockets (best druggability 0.81). MolNFT v1 #36816 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2FHE
- Type
- protein
- Length
- 432 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- P56598
- Ligands
- GSH
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase (EC 2.5.1.18) | protein | 216 | 50% helix, 9% strand | P56598 |
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
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.81 | 0.84 | 88 | GSH |
| 2 | 110 | 0.51 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1481 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 2FHE · Fasciola hepatica glutathione S-transferase isoform 1 in complex with glutathione · the same entry in another collection · chain B against B, TM-score 1.00
- P56598 · AlphaFold monomer V2.0 prediction for glutathione S-transferase class-mu 26 kda isozyme 1… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P56598
- Elsewhere: RCSB PDB 2FHE · PDBe 2FHE · UniProt P56598
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