Research workbench
Crystal structure of glutathione transferase omega 6S from trametes versicolor in complex with naringenin
Analyse Crystal structure of glutathione transferase omega 6S from trametes versicolor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6F71
- Type
- protein
- Length
- 962 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase
- Ligands
- CWE
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 3 distinct chains · 58% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione transferase | protein | 240 | 56% helix, 8% strand | — |
| C | Glutathione transferase | protein | 242 | 57% helix, 8% strand | — |
| D | Glutathione transferase | protein | 240 | 60% helix, 8% strand | — |
Ligands and binding sites
- CWE · R-naringenin · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 972 | 0.78 | 0.80 | 97 | CWE |
| 2 | 929 | 0.78 | 0.80 | 92 | CWE |
| 3 | 711 | 0.74 | 0.80 | 72 | empty |
| 4 | 215 | 0.51 | 0.76 | 24 | empty |
| 5 | 203 | 0.50 | 0.76 | 22 | empty |
Interfaces
4 interfaces between chains.
- A–B · 833 Ų buried · 7 hydrogen bonds · protein-protein
- C–D · 827 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 248 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 57 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6F71 · Crystal structure of glutathione transferase Omega 6S from Trametes versicolor in complex… · 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 6F71 · PDBe 6F71
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