Research workbench
Human glutathione S-transferase P1-1, complex with glutathione
Analyse Human glutathione S-transferase P1-1, complex with glutathione in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8GSS
- Type
- protein
- Length
- 627 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase P1-1
- EC
- 2.5.1.18
- UniProt
- P09211
- Ligands
- GSH, SO4
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutathione S-transferase P1-1 (EC 2.5.1.18) | protein | 209 | 60% helix, 8% strand | P09211 |
Ligands and binding sites
- GSH · Glutathione · ligand · 3 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 2 copies · chains A, B, C
- MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 2 copies · chains B, C
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 | 1155 | 0.74 | 0.77 | 123 | SO4, GSH |
| 2 | 121 | 0.52 | 0.82 | 22 | empty |
| 3 | 137 | 0.47 | 0.78 | 28 | GSH |
| 4 | 87 | 0.36 | 0.75 | 15 | empty |
| 5 | 81 | 0.34 | 0.75 | 13 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1287 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 370 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 10 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 8GSS · Human glutathione S-transferase P1-1, complex with 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 P09211
- Elsewhere: RCSB PDB 8GSS · PDBe 8GSS · UniProt P09211
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