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The glutathione bound structure of yqjg, a glutathione transferase homolog from escherichia COLI K-12
Analyse The glutathione bound structure of yqjg, a glutathione transferase homolog from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3R3E
- Type
- protein
- Length
- 615 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein yqjg
- EC
- 2.5.1.18
- UniProt
- P42620
- Ligands
- GSH, SO4
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein yqjg (EC 2.5.1.18) | protein | 308 | 42% helix, 10% strand | P42620 |
| B | Uncharacterized protein yqjg (EC 2.5.1.18) | protein | 307 | 43% helix, 10% strand | P42620 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.72 | 0.97 | 26 | empty |
| 2 | 331 | 0.59 | 0.77 | 33 | GSH, SO4 |
| 3 | 289 | 0.56 | 0.76 | 32 | GSH |
| 4 | 50 | 0.27 | 0.74 | 12 | empty |
| 5 | 51 | 0.26 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1211 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 3R3E · The glutathione bound structure of YqjG, a glutathione transferase homolog from… · the same entry in another collection · chain A against A, TM-score 1.00
- P42620 · AlphaFold monomer V2.0 prediction for glutathionyl-hydroquinone reductase yqjg (P42620) · 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 P42620
- Elsewhere: RCSB PDB 3R3E · PDBe 3R3E · UniProt P42620
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