MolNFT v1 · #83969 · protein
Structural characterization of catalytic site of a nilaparvata lugens delta-class glutathione transferase
3WYW · Glutathione S-transferase: “Structural characterization of catalytic site of a nilaparvata lugens delta-class glutathione transferase”. X-ray diffraction, 1 ligand (GSH), 5 pockets (best druggability 0.71). MolNFT v1 #83969 on…
- PDB
- 3WYW
- Type
- protein
- Length
- 427 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- UniProt
- Q8N0B3
- Ligands
- GSH
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase | protein | 213 | 62% helix, 8% strand | Q8N0B3 |
| B | Glutathione S-transferase | protein | 214 | 62% helix, 9% strand | Q8N0B3 |
Ligands and binding sites
- GSH · Glutathione · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 740 | 0.71 | 0.77 | 46 | GSH |
| 2 | 649 | 0.69 | 0.77 | 40 | GSH |
| 3 | 50 | 0.32 | 0.78 | 15 | EDO |
| 4 | 53 | 0.32 | 0.76 | 14 | empty |
| 5 | 52 | 0.30 | 0.76 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1486 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3WYW · Structural characterization of catalytic site of a Nilaparvata lugens delta-class… · 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 Q8N0B3
- Elsewhere: RCSB PDB 3WYW · PDBe 3WYW · UniProt Q8N0B3
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.