MolNFT v1 · #28598 · protein
Crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-zinc-trihydroxide
1YJ6 · Glutathione S-transferase mu 1: “Crystal structure of human glutathione S-transferase M1A-1A complexed with glutathionyl-zinc-trihydroxide”. X-ray diffraction, 2 ligands (GSH, ZN), 4 pockets (best druggability 0.76). MolNFT v1…
- PDB
- 1YJ6
- Type
- protein
- Length
- 651 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase mu 1
- EC
- 2.5.1.18
- UniProt
- P09488
- Ligands
- GSH, ZN
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutathione S-transferase mu 1 (EC 2.5.1.18) | protein | 217 | 51% helix, 9% strand | P09488 |
Ligands and binding sites
- GSH · Glutathione · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 3 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 913 | 0.76 | 0.79 | 75 | ZN, GSH |
| 2 | 191 | 0.63 | 0.84 | 25 | empty |
| 3 | 306 | 0.52 | 0.74 | 28 | empty |
| 4 | 186 | 0.47 | 0.75 | 24 | ZN, GSH |
Interfaces
2 interfaces between chains.
- A–B · 1366 Ų buried · 11 hydrogen bonds · protein-protein
- A–C · 147 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1YJ6 · crystal structure of human glutathione S-transferase M1A-1A complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P09488 · AlphaFold monomer V2.0 prediction for glutathione S-transferase mu 1 (P09488) · 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 P09488
- Elsewhere: RCSB PDB 1YJ6 · PDBe 1YJ6 · UniProt P09488
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