MolNFT v1 · #82766 · protein
Structural analysis of an epsilon-class glutathione S-transferase from housefly, musca domestica
3VWX · Glutathione S-transferase 6B: “Structural analysis of an epsilon-class glutathione S-transferase from housefly, musca domestica”. X-ray diffraction, 1 ligand (GSH), 11 pockets (best druggability 0.87). MolNFT v1 #82766 on GenesisL1…
- PDB
- 3VWX
- Type
- protein
- Length
- 876 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase 6B
- EC
- 2.5.1.18
- UniProt
- Q9U795
- Ligands
- GSH
- Pockets
- 11 · best druggability 0.87
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase 6B (EC 2.5.1.18) | protein | 218 | 58% helix, 10% strand | Q9U795 |
| C, D | Glutathione S-transferase 6B (EC 2.5.1.18) | protein | 220 | 58% helix, 11% strand | Q9U795 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1100 | 0.87 | 0.87 | 107 | GSH |
| 2 | 1170 | 0.86 | 0.86 | 105 | GSH |
| 3 | 289 | 0.71 | 0.85 | 41 | empty |
| 4 | 62 | 0.52 | 0.87 | 20 | empty |
| 5 | 183 | 0.48 | 0.76 | 28 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1585 Ų buried · 4 hydrogen bonds · protein-protein
- A–D · 1584 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 673 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3VWX · Structural analysis of an epsilon-class glutathione S-transferase from housefly, Musca… · 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 Q9U795
- Elsewhere: RCSB PDB 3VWX · PDBe 3VWX · UniProt Q9U795
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