Research workbench
Glutathione S-transferase from drosophila melanogaster - isozyme E6
Analyse Glutathione S-transferase from drosophila melanogaster - isozyme E6 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4PNF
- Type
- protein
- Length
- 1,757 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RE21095P
- UniProt
- Q7JZM3
- Ligands
- GSH
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 58% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RE21095P | protein | 220 | 59% helix, 10% strand | Q7JZM3 |
| B | RE21095P | protein | 221 | 57% helix, 10% strand | Q7JZM3 |
| C, D, H | RE21095P | protein | 219 | 58% helix, 10% strand | Q7JZM3 |
| E, F | RE21095P | protein | 220 | 59% helix, 11% strand | Q7JZM3 |
| G | RE21095P | protein | 219 | 58% helix, 10% strand | Q7JZM3 |
Ligands and binding sites
- GSH · Glutathione · ligand · 8 copies · chains A, B, C, D, E, F, G, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1007 | 0.85 | 0.86 | 103 | GSH |
| 2 | 1126 | 0.85 | 0.85 | 105 | GSH |
| 3 | 1177 | 0.84 | 0.85 | 106 | GSH |
| 4 | 1183 | 0.83 | 0.84 | 106 | GSH |
| 5 | 754 | 0.72 | 0.78 | 101 | empty |
Interfaces
9 interfaces between chains.
- C–D · 1490 Ų buried · 9 hydrogen bonds · protein-protein
- E–F · 1427 Ų buried · 9 hydrogen bonds · protein-protein
- A–B · 1423 Ų buried · 8 hydrogen bonds · protein-protein
- G–H · 1347 Ų buried · 8 hydrogen bonds · protein-protein
- B–G · 507 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4PNF · Glutathione S-Transferase from Drosophila melanogaster - isozyme E6 · 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 Q7JZM3
- Elsewhere: RCSB PDB 4PNF · PDBe 4PNF · UniProt Q7JZM3
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