MolNFT v1 · #27850 · protein
1.9 ångström resolution structure of human glutathione S-transferase M1A-1A complexed with glutathione
1XW6 · Glutathione S-transferase mu 1: “1.9 ångström resolution structure of human glutathione S-transferase M1A-1A complexed with glutathione”. X-ray diffraction, 1 ligand (GSH), 6 pockets (best druggability 0.75). MolNFT v1 #27850 on…
- PDB
- 1XW6
- Type
- protein
- Length
- 868 residues
- Chains
- 4
- 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
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutathione S-transferase mu 1 (EC 2.5.1.18) | protein | 217 | 51% helix, 9% strand | P09488 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 881 | 0.75 | 0.79 | 78 | GSH |
| 2 | 1193 | 0.74 | 0.77 | 86 | GSH |
| 3 | 227 | 0.67 | 0.84 | 19 | empty |
| 4 | 223 | 0.66 | 0.84 | 20 | empty |
| 5 | 442 | 0.61 | 0.76 | 42 | empty |
Interfaces
5 interfaces between chains.
- A–B · 1340 Ų buried · 14 hydrogen bonds · protein-protein
- C–D · 1315 Ų buried · 13 hydrogen bonds · protein-protein
- A–C · 174 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 109 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 100 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1XW6 · 1.9 angstrom resolution structure of human glutathione S-transferase M1A-1A complexed… · 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 1.00
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 1XW6 · PDBe 1XW6 · UniProt P09488
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