Research workbench
Glutathione-S-transferase glig mutant K127G in complex with oxidized glutathione
Analyse Glutathione-S-transferase glig mutant K127G in complex with oxidized glutathione in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7NCU
- Type
- protein
- Length
- 478 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase glig
- UniProt
- B0Y813
- Ligands
- GDS
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase glig | protein | 239 | 50% helix, 9% strand | B0Y813 |
Ligands and binding sites
- GDS · Oxidized glutathione disulfide · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 594 | 0.73 | 0.80 | 43 | GDS |
| 2 | 528 | 0.72 | 0.81 | 40 | GDS |
| 3 | 337 | 0.68 | 0.82 | 28 | empty |
| 4 | 116 | 0.36 | 0.74 | 23 | EDO |
| 5 | 110 | 0.35 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2257 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 7NCU · Glutathione-S-transferase GliG mutant K127G in complex with oxidized glutathione · 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 B0Y813
- Elsewhere: RCSB PDB 7NCU · PDBe 7NCU · UniProt B0Y813
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