MolNFT v1 · #150054 · protein
Crystal structure of glutathione transferase omega 2S from trametes versicolor in complex with oxyresveratrol
6GIC: “Crystal structure of glutathione transferase omega 2S from trametes versicolor in complex with oxyresveratrol”. X-ray diffraction, 3 ligands (EZE, EZH, MG), 4 pockets (best druggability 0.78). MolNFT v1 #150054 on GenesisL1: 3D…
- PDB
- 6GIC
- Type
- protein
- Length
- 466 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione transferase omega 2S
- Ligands
- EZE, EZH, MG
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 57% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione transferase omega 2S | protein | 229 | 58% helix, 8% strand | — |
| B | Glutathione transferase omega 2S | protein | 237 | 57% helix, 9% strand | — |
Ligands and binding sites
- EZE · trans-oxyresveratrol · ligand · chains B
- EZH · cis-oxyresveratrol · ligand · chains A, B
- MG · Magnesium ion · metal · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 901 | 0.78 | 0.80 | 89 | EZE, EZH |
| 2 | 181 | 0.49 | 0.76 | 22 | empty |
| 3 | 56 | 0.47 | 0.85 | 18 | empty |
| 4 | 152 | 0.46 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1033 Ų buried · 12 hydrogen bonds · protein-protein
Compared structures
- 6GIC · Crystal structure of glutathione transferase Omega 2S 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 6GIC · PDBe 6GIC
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