MolNFT v1 · #8163 · protein
An avian class-mu glutathione S-transferase, CGSTM1-1 at 1.94 ångström resolution
1GSU: “An avian class-mu glutathione S-transferase, CGSTM1-1 at 1.94 ångström resolution”. X-ray diffraction, 1 ligand (GTX), 4 pockets (best druggability 0.75). MolNFT v1 #8163 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1GSU
- Type
- protein
- Length
- 434 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Class-mu glutathione S-transferase
- EC
- 2.5.1.18
- UniProt
- P20136
- Ligands
- GTX
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Class-mu glutathione S-transferase (EC 2.5.1.18) | protein | 217 | 53% helix, 9% strand | P20136 |
Ligands and binding sites
- GTX · S-hexylglutathione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.75 | 0.78 | 80 | GTX |
| 2 | 153 | 0.55 | 0.81 | 22 | empty |
| 3 | 61 | 0.39 | 0.80 | 13 | empty |
| 4 | 51 | 0.35 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1305 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1GSU · An avian class-mu glutathione S-transferase, CGSTM1-1 at 1.94 ångström resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P20136 · AlphaFold monomer V2.0 prediction for glutathione S-transferase 2 (P20136) · 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 P20136
- Elsewhere: RCSB PDB 1GSU · PDBe 1GSU · UniProt P20136
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