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Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium acetobutylicum at 1.9 A resolution

Analyse Crystal structure of a Ferredoxin-Flavin Thioredoxin Reductase from Clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GNB
Type
protein
Length
284 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.895
Source
Clostridium acetobutylicum ATCC 824
Molecule
Thioredoxin reductase
UniProt
Q97EM8
Ligands
FAD
Pockets
3 · best druggability 0.75

Structure

x-ray diffraction · resolution 1.895 · 1 distinct chain · 26% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThioredoxin reductaseprotein28426% helix, 30% strandQ97EM8

Ligands and binding sites

  • FAD · Flavin-adenine dinucleotide · ligand · chains A
  • PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
  • PGE · Triethylene glycol · additive · 2 copies · chains A
  • ACT · Acetate ion · additive · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15330.750.8258FAD, PGE
2540.380.8013empty
3570.320.7612empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6GNB · Crystal structure of a ferredoxin-flavin thioredoxin reductase from clostridium… · the same entry in another collection · chain A against A, TM-score 1.00

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