MolNFT v1 · #148452 · protein
Crystal structure of glutathione transferase omega 6S from trametes versicolor in complex with naringenin
6F71: “Crystal structure of glutathione transferase omega 6S from trametes versicolor in complex with naringenin”. X-ray diffraction, 1 ligand (CWE), 10 pockets (best druggability 0.78). MolNFT v1 #148452 on GenesisL1: 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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