Research workbench
Glutathione S-transferase I from mais in complex with atrazine glutathione conjugate
Analyse Glutathione S-transferase I from mais in complex with atrazine glutathione… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1BYE
- Type
- protein
- Length
- 852 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (glutathione S-transferase)
- UniProt
- P12653
- Ligands
- ATA
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 60% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (glutathione S-transferase) | protein | 213 | 60% helix, 5% strand | P12653 |
Ligands and binding sites
- ATA · Atrazine glutathione conjugate · ligand · 4 copies · chains A, B, C, D
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 | 635 | 0.68 | 0.77 | 93 | ATA |
| 2 | 640 | 0.65 | 0.75 | 80 | ATA |
| 3 | 83 | 0.37 | 0.76 | 15 | empty |
| 4 | 83 | 0.36 | 0.76 | 14 | empty |
| 5 | 93 | 0.36 | 0.75 | 16 | empty |
Interfaces
2 interfaces between chains.
- C–D · 1445 Ų buried · 12 hydrogen bonds · protein-protein
- A–B · 1434 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 1BYE · Glutathione S-transferase I from mais in complex with atrazine glutathione conjugate · the same entry in another collection · chain D against D, TM-score 1.00
- P12653 · AlphaFold monomer V2.0 prediction for glutathione S-transferase 1 (P12653) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 P12653
- Elsewhere: RCSB PDB 1BYE · PDBe 1BYE · UniProt P12653
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