MolNFT v1 · #119739 · protein
Glutathione transferase U25 from arabidopsis thaliana in complex with glutathione disulfide
5G5A · Glutathione S-transferase U25: “Glutathione transferase U25 from arabidopsis thaliana in complex with glutathione disulfide”. X-ray diffraction, 1 ligand (GSH), 13 pockets (best druggability 0.75). MolNFT v1 #119739 on GenesisL1: 3D…
- PDB
- 5G5A
- Type
- protein
- Length
- 875 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase U25
- EC
- 2.5.1.18
- UniProt
- Q9SHH7
- Ligands
- GSH
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Glutathione S-transferase U25 (EC 2.5.1.18) | protein | 219 | 60% helix, 9% strand | Q9SHH7 |
| D | Glutathione S-transferase U25 (EC 2.5.1.18) | protein | 218 | 60% helix, 9% strand | Q9SHH7 |
Ligands and binding sites
- GSH · Glutathione · ligand · 8 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 531 | 0.75 | 0.82 | 46 | GSH |
| 2 | 511 | 0.75 | 0.82 | 47 | GSH |
| 3 | 328 | 0.62 | 0.78 | 32 | GSH |
| 4 | 320 | 0.61 | 0.78 | 26 | GSH |
| 5 | 89 | 0.41 | 0.78 | 19 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1066 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1065 Ų buried · 10 hydrogen bonds · protein-protein
- B–C · 744 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 5G5A · Glutathione transferase U25 from Arabidopsis thaliana in complex with glutathione… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9SHH7 · AlphaFold monomer V2.0 prediction for glutathione S-transferase U25 (Q9SHH7) · a predicted model of the same protein · chain D 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 Q9SHH7
- Elsewhere: RCSB PDB 5G5A · PDBe 5G5A · UniProt Q9SHH7
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