MolNFT v1 · #137862 · protein
Echinococcus granulosus thioredoxin glutathione reductas (egtgr) with gold
5W1L · Thioredoxin glutathione reductase: “Echinococcus granulosus thioredoxin glutathione reductas (egtgr) with gold”. X-ray diffraction, 2 ligands (FAD, AU), 14 pockets (best druggability 0.82). MolNFT v1 #137862 on GenesisL1: 3D…
- PDB
- 5W1L
- Type
- protein
- Length
- 1,168 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin glutathione reductase
- UniProt
- Q869D7
- Ligands
- FAD, AU
- Pockets
- 14 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Thioredoxin glutathione reductase | protein | 584 | 36% helix, 25% strand | Q869D7 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- AU · Gold ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 253 | 0.82 | 0.94 | 62 | empty |
| 2 | 846 | 0.81 | 0.84 | 103 | FAD |
| 3 | 540 | 0.81 | 0.87 | 75 | FAD |
| 4 | 731 | 0.72 | 0.78 | 49 | empty |
| 5 | 702 | 0.70 | 0.77 | 46 | empty |
Interfaces
1 interface between chains.
- A–B · 3791 Ų buried · 43 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5W1L · Echinococcus granulosus thioredoxin glutathione reductas (egTGR) with Gold · the same entry in another collection · 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 Q869D7
- Elsewhere: RCSB PDB 5W1L · PDBe 5W1L · UniProt Q869D7
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