Research workbench
Crystal structure of human kappa class glutathione transferase in apo form
Analyse Crystal structure of human kappa class glutathione transferase in apo form in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RPP
- Type
- protein
- Length
- 649 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase kappa 1
- EC
- 2.5.1.18
- UniProt
- Q9Y2Q3
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Glutathione S-transferase kappa 1 (EC 2.5.1.18) | protein | 216 | 52% helix, 12% strand | Q9Y2Q3 |
| B | Glutathione S-transferase kappa 1 (EC 2.5.1.18) | protein | 217 | 51% helix, 12% strand | Q9Y2Q3 |
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.81 | 0.97 | 25 | empty |
| 2 | 1001 | 0.74 | 0.77 | 70 | empty |
| 3 | 63 | 0.61 | 0.92 | 19 | empty |
| 4 | 85 | 0.44 | 0.80 | 18 | empty |
| 5 | 165 | 0.43 | 0.74 | 26 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1273 Ų buried · 17 hydrogen bonds · protein-protein
- A–B · 405 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 355 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 3RPP · Crystal structure of human kappa class glutathione transferase in apo form · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y2Q3 · AlphaFold monomer V2.0 prediction for glutathione S-transferase kappa 1 (Q9Y2Q3) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q9Y2Q3
- Elsewhere: RCSB PDB 3RPP · PDBe 3RPP · UniProt Q9Y2Q3
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