Research workbench
Structure of glutathione S-transferase-I bound with the ligand lactoylglutathione
Analyse Structure of glutathione S-transferase-I bound with the ligand… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1AXD
- Type
- protein
- Length
- 422 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase I; Lactoylglutathione
- EC
- 2.5.1.18
- UniProt
- P12653
- Ligands
- GGL
- Pockets
- 4 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 63% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glutathione S-transferase I (EC 2.5.1.18) | protein | 209 | 64% helix, 8% strand | P12653 |
| C, D | Lactoylglutathione | protein | 2 | 0% helix, 0% strand | — |
Ligands and binding sites
- GGL · Gamma-L-glutamic acid · ligand · 2 copies · chains A, B, C, D
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 | 330 | 0.59 | 0.78 | 39 | GGL |
| 2 | 91 | 0.38 | 0.76 | 16 | empty |
| 3 | 73 | 0.34 | 0.75 | 20 | empty |
| 4 | 65 | 0.31 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1431 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 237 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 229 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent, 2 modified (covalent ligand, nonstandard).
Compared structures
- 1AXD · Structure of glutathione S-transferase-I bound with the ligand lactoylglutathione · the same entry in another collection · chain A against A, TM-score 1.00
- P12653 · AlphaFold monomer V2.0 prediction for glutathione S-transferase 1 (P12653) · a predicted model of the same protein · chain B 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 1AXD · PDBe 1AXD · UniProt P12653
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.