Research workbench
Structure of SH28GST in complex with S-hexyl glutathione
Analyse Structure of SH28GST in complex with S-hexyl glutathione in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2C80
- Type
- protein
- Length
- 416 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase 28 kda
- EC
- 2.5.1.18
- UniProt
- P30113
- Ligands
- GTX
- Pockets
- 4 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 57% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase 28 kda (EC 2.5.1.18) | protein | 208 | 57% helix, 11% strand | P30113 |
Ligands and binding sites
- GTX · S-hexylglutathione · ligand · 2 copies · chains A, B
- PG4 · Tetraethylene glycol · additive · chains A, 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 | 998 | 0.80 | 0.81 | 94 | GTX |
| 2 | 90 | 0.43 | 0.79 | 20 | PG4 |
| 3 | 69 | 0.35 | 0.76 | 15 | empty |
| 4 | 57 | 0.34 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1328 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2C80 · Structure of Sh28GST in complex with S-hexyl Glutathione · the same entry in another collection · chain A against A, TM-score 1.00
- P30113 · AlphaFold monomer V2.0 prediction for glutathione S-transferase class-mu 28 kda isozyme… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P30113
- Elsewhere: RCSB PDB 2C80 · PDBe 2C80 · UniProt P30113
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