Research workbench
Crystal structure of the glutathione transferase GTE1 from phanerochaete chrysosporium in complex with glutathione
Analyse Crystal structure of the glutathione transferase GTE1 from phanerochaete… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G19
- Type
- protein
- Length
- 1,002 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase GTE1
- Ligands
- GSH
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Glutathione transferase GTE1 | protein | 251 | 56% helix, 9% strand | — |
| B, C | Glutathione transferase GTE1 | protein | 250 | 56% helix, 9% strand | — |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 7 copies · chains A, B, C, D
- ACT · Acetate ion · additive · 6 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 750 | 0.74 | 0.79 | 66 | GOL |
| 2 | 489 | 0.68 | 0.78 | 51 | ACT, GSH |
| 3 | 480 | 0.65 | 0.77 | 51 | ACT, GSH |
| 4 | 424 | 0.64 | 0.77 | 46 | ACT, GSH |
| 5 | 415 | 0.63 | 0.77 | 44 | ACT, GSH |
Interfaces
3 interfaces between chains.
- A–B · 933 Ų buried · 6 hydrogen bonds · protein-protein
- C–D · 853 Ų buried · 5 hydrogen bonds · protein-protein
- B–D · 216 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4G19 · Crystal structure of the glutathione transferase GTE1 from Phanerochaete chrysosporium in… · 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
- Elsewhere: RCSB PDB 4G19 · PDBe 4G19
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