Research workbench
Crystal structure of glutathione transferase omega 2S from trametes versicolor in complex with 2,4-dihydroxybenzophenone
Analyse Crystal structure of glutathione transferase omega 2S 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
- 6HT6
- Type
- protein
- Length
- 459 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase omega 2S
- Ligands
- CUT, MG
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 58% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase omega 2S | protein | 229 | 58% helix, 9% strand | — |
| B | Glutathione S-transferase omega 2S | protein | 230 | 57% helix, 10% strand | — |
Ligands and binding sites
- CUT · [2,4-bis(oxidanyl)phenyl]-phenyl-methanone · ligand · 2 copies · 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
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 568 | 0.76 | 0.82 | 51 | CUT |
| 2 | 197 | 0.51 | 0.76 | 23 | empty |
| 3 | 183 | 0.47 | 0.75 | 20 | empty |
| 4 | 161 | 0.46 | 0.76 | 25 | empty |
| 5 | 106 | 0.42 | 0.77 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 985 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 6HT6 · 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 6HT6 · PDBe 6HT6
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