Research workbench
Crystal structure of a bacterial glutathione transferase from escherichia COLI with glutathione sulfonate in the active site
Analyse Crystal structure of a bacterial glutathione transferase from escherichia COLI… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1N2A
- Type
- protein
- Length
- 388 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- P0A9D2
- Ligands
- GTS
- Pockets
- 2 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glutathione S-transferase (EC 2.5.1.18) | protein | 201 | 53% helix, 9% strand | P0A9D2 |
| B | Glutathione S-transferase (EC 2.5.1.18) | protein | 187 | 53% helix, 7% strand | P0A9D2 |
Ligands and binding sites
- GTS · Glutathione sulfonic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 873 | 0.79 | 0.82 | 89 | GTS |
| 2 | 89 | 0.37 | 0.76 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1736 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 1N2A · Crystal Structure of a Bacterial Glutathione Transferase from Escherichia coli with… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A9D2 · AlphaFold monomer V2.0 prediction for glutathione S-transferase gsta (P0A9D2) · 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 P0A9D2
- Elsewhere: RCSB PDB 1N2A · PDBe 1N2A · UniProt P0A9D2
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