MolNFT v1 · #136564 · protein
The crystal structure of thioredoxin reductase from streptococcus pyogenes MGAS5005
5UWY: “The crystal structure of thioredoxin reductase from streptococcus pyogenes MGAS5005”. X-ray diffraction, 2 ligands (FAD, PO4), 4 pockets (best druggability 0.75). MolNFT v1 #136564 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5UWY
- Type
- protein
- Length
- 306 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- EC
- 1.8.1.9
- UniProt
- A0A0C6G0E1
- Ligands
- FAD, PO4
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 28% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase (EC 1.8.1.9) | protein | 306 | 28% helix, 29% strand | A0A0C6G0E1 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 416 | 0.75 | 0.85 | 51 | FAD |
| 2 | 171 | 0.49 | 0.77 | 17 | empty |
| 3 | 65 | 0.38 | 0.79 | 15 | empty |
| 4 | 64 | 0.35 | 0.77 | 17 | empty |
Modifications
Observed in the structure: 8 modified, 1 disulfide (engineered, disulfide).
Compared structures
- 5UWY · The crystal structure of thioredoxin reductase from Streptococcus pyogenes MGAS5005 · 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 A0A0C6G0E1
- Elsewhere: RCSB PDB 5UWY · PDBe 5UWY · UniProt A0A0C6G0E1
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