MolNFT v1 · #75469 · protein
Structure of glutathione S-TRANSFERASE(PP0183) from pseudomonas putida in complex with gsh
3PR8 · Glutathione S-transferase family protein: “Structure of glutathione S-TRANSFERASE(PP0183) from pseudomonas putida in complex with gsh”. X-ray diffraction, 1 ligand (GSH), 13 pockets (best druggability 0.79). MolNFT v1 #75469 on…
- PDB
- 3PR8
- Type
- protein
- Length
- 871 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glutathione S-transferase family protein
- UniProt
- Q88RE7
- Ligands
- GSH
- Pockets
- 13 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 8% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D | Glutathione S-transferase family protein | protein | 218 | 62% helix, 8% strand | Q88RE7 |
| B | Glutathione S-transferase family protein | protein | 217 | 61% helix, 8% strand | Q88RE7 |
Ligands and binding sites
- GSH · Glutathione · ligand · 4 copies · chains A, B, C, D
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains B
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 | 804 | 0.79 | 0.82 | 82 | GSH |
| 2 | 100 | 0.76 | 0.96 | 17 | empty |
| 3 | 570 | 0.64 | 0.75 | 64 | GSH |
| 4 | 50 | 0.63 | 0.94 | 19 | empty |
| 5 | 347 | 0.58 | 0.76 | 44 | GSH |
Interfaces
3 interfaces between chains.
- C–D · 1709 Ų buried · 22 hydrogen bonds · protein-protein
- B–C · 584 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 564 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 modified (engineered).
Compared structures
- 3PR8 · Structure of Glutathione S-transferase(PP0183) from Pseudomonas putida in complex with GSH · the same entry in another collection · chain D against D, 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 Q88RE7
- Elsewhere: RCSB PDB 3PR8 · PDBe 3PR8 · UniProt Q88RE7
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