Research workbench
Reaction coordinate motion in an snar reaction catalyzed by glutathione transferase
Analyse Reaction coordinate motion in an snar reaction catalyzed by glutathione… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4GST
- Type
- protein
- Length
- 434 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
- P04905
- Ligands
- GTD, SO4
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase (EC 2.5.1.18) | protein | 217 | 49% helix, 9% strand | P04905 |
Ligands and binding sites
- GTD · 1-(S-glutathionyl)-2,4,6-trinitrocyclohexa-2,5-diene · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 937 | 0.77 | 0.79 | 83 | GTD |
| 2 | 166 | 0.58 | 0.82 | 19 | SO4 |
| 3 | 56 | 0.30 | 0.75 | 12 | empty |
| 4 | 56 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1400 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4GST · Reaction coordinate motion in an snar reaction catalyzed by glutathione transferase · the same entry in another collection · chain A against A, TM-score 1.00
- P04905 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 1 (P04905) · 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 P04905
- Elsewhere: RCSB PDB 4GST · PDBe 4GST · UniProt P04905
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