Research workbench
Crystal structure of the R39W mutant of populus trichocarpa glutathione transferase PTGSTU30 in complex with glutathione
Analyse Crystal structure of the R39W mutant of populus trichocarpa glutathione… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5J5N
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase family protein
- UniProt
- B9I0G5
- Ligands
- GSH
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 61% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione transferase family protein | protein | 218 | 61% helix, 9% strand | B9I0G5 |
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
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 968 | 0.79 | 0.80 | 86 | GSH |
| 2 | 113 | 0.40 | 0.76 | 28 | empty |
| 3 | 53 | 0.35 | 0.79 | 14 | empty |
| 4 | 75 | 0.35 | 0.76 | 19 | empty |
| 5 | 97 | 0.34 | 0.74 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1169 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 5J5N · Crystal structure of the R39W mutant of Populus trichocarpa glutathione transferase… · 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 B9I0G5
- Elsewhere: RCSB PDB 5J5N · PDBe 5J5N · UniProt B9I0G5
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