MolNFT v1 · #91892 · protein
Glutathionyl-hydroquinone reductase pcpf of sphingobium chlorophenolicum
4FQU · Putative glutathione transferase: “Glutathionyl-hydroquinone reductase pcpf of sphingobium chlorophenolicum”. X-ray diffraction, 20 pockets (best druggability 0.85). MolNFT v1 #91892 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4FQU
- Type
- protein
- Length
- 2,473 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative glutathione transferase
- UniProt
- Q8KN33
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 5 distinct chains · 40% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, D, E | Putative glutathione transferase | protein | 312 | 40% helix, 10% strand | Q8KN33 |
| B | Putative glutathione transferase | protein | 303 | 41% helix, 10% strand | Q8KN33 |
| F | Putative glutathione transferase | protein | 308 | 41% helix, 10% strand | Q8KN33 |
| G | Putative glutathione transferase | protein | 305 | 40% helix, 10% strand | Q8KN33 |
| H | Putative glutathione transferase | protein | 309 | 38% helix, 9% strand | Q8KN33 |
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1031 | 0.85 | 0.86 | 93 | empty |
| 2 | 988 | 0.79 | 0.80 | 80 | empty |
| 3 | 694 | 0.78 | 0.83 | 56 | empty |
| 4 | 482 | 0.78 | 0.85 | 63 | empty |
| 5 | 581 | 0.77 | 0.84 | 58 | empty |
Interfaces
10 interfaces between chains.
- C–E · 1196 Ų buried · 13 hydrogen bonds · protein-protein
- E–F · 1172 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1135 Ų buried · 20 hydrogen bonds · protein-protein
- A–B · 1089 Ų buried · 20 hydrogen bonds · protein-protein
- A–F · 1064 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 4FQU · Glutathionyl-Hydroqui Reductase PcpF of Sphingobium chlorophenolicum · the same entry in another collection · chain H against H, TM-score 1.00
- Q8KN33 · AlphaFold monomer V2.0 prediction for glutathionyl-hydroquinone reductase pcpf (Q8KN33) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 Q8KN33
- Elsewhere: RCSB PDB 4FQU · PDBe 4FQU · UniProt Q8KN33
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