MolNFT v1 · #14173 · protein
Crystal structure of the drosophila glutathione S-transferase-2 in complex with glutathione
1M0U · GST2 gene product: “Crystal structure of the drosophila glutathione S-transferase-2 in complex with glutathione”. X-ray diffraction, 2 ligands (GSH, SO4), 3 pockets (best druggability 0.70). MolNFT v1 #14173 on GenesisL1: 3D…
- PDB
- 1M0U
- Type
- protein
- Length
- 406 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GST2 gene product
- EC
- 2.5.1.18
- UniProt
- P41043
- Ligands
- GSH, SO4
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GST2 gene product (EC 2.5.1.18) | protein | 203 | 62% helix, 10% strand | P41043 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 688 | 0.70 | 0.77 | 63 | GSH |
| 2 | 181 | 0.52 | 0.77 | 17 | empty |
| 3 | 188 | 0.51 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1250 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1M0U · Crystal Structure of the Drosophila Glutathione S-transferase-2 in Complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P41043 · AlphaFold monomer V2.0 prediction for glutathione S-transferase S1 (P41043) · 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 P41043
- Elsewhere: RCSB PDB 1M0U · PDBe 1M0U · UniProt P41043
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