MolNFT v1 · #20121 · protein
Crystal structure of mitochondrial class kappa glutathione transferase
1R4W · Glutathione S-transferase, mitochondrial: “Crystal structure of mitochondrial class kappa glutathione transferase”. X-ray diffraction, 1 ligand (GSH), 13 pockets (best druggability 0.86). MolNFT v1 #20121 on GenesisL1: 3D structure…
- PDB
- 1R4W
- Type
- protein
- Length
- 884 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase, mitochondrial
- EC
- 2.5.1.18
- UniProt
- P24473
- Ligands
- GSH
- Pockets
- 13 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 53% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Glutathione S-transferase, mitochondrial (EC 2.5.1.18) | protein | 221 | 53% helix, 12% strand | P24473 |
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
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 899 | 0.86 | 0.88 | 82 | GSH |
| 2 | 988 | 0.85 | 0.86 | 85 | GSH |
| 3 | 94 | 0.77 | 0.97 | 24 | empty |
| 4 | 95 | 0.76 | 0.97 | 24 | empty |
| 5 | 757 | 0.69 | 0.76 | 63 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1480 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1426 Ų buried · 16 hydrogen bonds · protein-protein
- A–D · 379 Ų buried · 3 hydrogen bonds · protein-protein
- B–D · 332 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 1R4W · Crystal structure of Mitochondrial class kappa glutathione transferase · the same entry in another collection · chain D against D, TM-score 1.00
- P24473 · AlphaFold monomer V2.0 prediction for glutathione S-transferase kappa 1 (P24473) · 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 P24473
- Elsewhere: RCSB PDB 1R4W · PDBe 1R4W · UniProt P24473
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.