MolNFT v1 · #48479 · protein
Crystal srtucture of the nem modified FERREDOXIN:THIOREDOXIN reductase
2PUO · Ferredoxin-thioredoxin reductase, catalytic chain: “Crystal srtucture of the nem modified FERREDOXIN:THIOREDOXIN reductase”. X-ray diffraction, 3 ligands (SF4, NEQ, SO4), 1 pocket (best druggability 0.29). MolNFT v1 #48479 on…
- PDB
- 2PUO
- Type
- protein
- Length
- 182 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ferredoxin-thioredoxin reductase, catalytic chain; Ferredoxin-thioredoxin reductase…
- UniProt
- Q55389, Q55781
- Ligands
- SF4, NEQ, SO4
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ferredoxin-thioredoxin reductase, catalytic chain | protein | 109 | 52% helix, 6% strand | Q55389 |
| B | Ferredoxin-thioredoxin reductase, variable chain | protein | 73 | 8% helix, 44% strand | Q55781 |
Ligands and binding sites
- SF4 · Iron/sulfur cluster · ligand · chains A
- NEQ · N-ethylmaleimide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 60 | 0.29 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 883 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 covalent (covalent ligand).
Compared structures
- 2PUO · Crystal srtucture of the NEM modified ferredoxin:thioredoxin reductase · the same entry in another collection · chain A against A, TM-score 1.00
- Q55389 · AlphaFold monomer V2.0 prediction for ferredoxin-thioredoxin reductase, catalytic chain… · a predicted model of the same protein · chain A against A, TM-score 0.99
- Q55781 · AlphaFold monomer V2.0 prediction for ferredoxin-thioredoxin reductase, variable chain… · a predicted model of the same protein · chain B against A, TM-score 0.94
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 Q55389
- Every structure of UniProt Q55781
- Elsewhere: RCSB PDB 2PUO · PDBe 2PUO · UniProt Q55389 · UniProt Q55781
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