Research workbench
Glutathione-S-transferase from xylella fastidiosa
Analyse Glutathione-S-transferase from xylella fastidiosa in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2X64
- Type
- protein
- Length
- 1,237 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione-S-transferase
- UniProt
- Q9PE18
- Ligands
- GSH, CL
- Pockets
- 13 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 57% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D, F | Glutathione-S-transferase | protein | 206 | 57% helix, 8% strand | Q9PE18 |
| B, C | Glutathione-S-transferase | protein | 207 | 57% helix, 8% strand | Q9PE18 |
| E | Glutathione-S-transferase | protein | 205 | 58% helix, 7% strand | Q9PE18 |
Ligands and binding sites
- GSH · Glutathione · ligand · 6 copies · chains A, B, C, D, E, F
- CL · Chloride ion · ion · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 563 | 0.78 | 0.84 | 60 | CL, GSH |
| 2 | 509 | 0.77 | 0.84 | 56 | GSH, CL |
| 3 | 467 | 0.76 | 0.84 | 54 | GSH |
| 4 | 536 | 0.73 | 0.81 | 57 | CL, GSH |
| 5 | 490 | 0.72 | 0.81 | 59 | GSH, CL |
Interfaces
9 interfaces between chains.
- A–B · 1701 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 1680 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1596 Ų buried · 15 hydrogen bonds · protein-protein
- B–D · 455 Ų buried · 7 hydrogen bonds · protein-protein
- C–E · 383 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2X64 · Glutathione-S-transferase from xylella fastidiosa · 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 Q9PE18
- Elsewhere: RCSB PDB 2X64 · PDBe 2X64 · UniProt Q9PE18
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