MolNFT v1 · #56334 · protein
Crystal structure of thioredoxin reductase-like protein from thermus thermophilus HB8
2ZBW: “Crystal structure of thioredoxin reductase-like protein from thermus thermophilus HB8”. X-ray diffraction, 1 ligand (FAD), 5 pockets (best druggability 0.78). MolNFT v1 #56334 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 2ZBW
- Type
- protein
- Length
- 667 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Thioredoxin reductase
- EC
- 1.8.1.-
- UniProt
- Q5SL28
- Ligands
- FAD
- Pockets
- 5 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Thioredoxin reductase (EC 1.8.1.-) | protein | 333 | 25% helix, 31% strand | Q5SL28 |
| B | Thioredoxin reductase (EC 1.8.1.-) | protein | 334 | 27% helix, 31% strand | Q5SL28 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 225 | 0.78 | 0.92 | 46 | FAD |
| 2 | 218 | 0.78 | 0.92 | 48 | FAD |
| 3 | 63 | 0.68 | 0.95 | 18 | empty |
| 4 | 395 | 0.63 | 0.78 | 50 | empty |
| 5 | 408 | 0.57 | 0.74 | 57 | empty |
Interfaces
1 interface between chains.
- A–B · 1854 Ų buried · 18 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 2ZBW · Crystal structure of thioredoxin reductase-like protein from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00
- Q5SL28 · AlphaFold monomer V2.0 prediction for ferredoxin--NADP reductase (Q5SL28) · a predicted model of the same protein · chain A against A, TM-score 0.73
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 Q5SL28
- Elsewhere: RCSB PDB 2ZBW · PDBe 2ZBW · UniProt Q5SL28
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