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Crystal structure of S-nitrosated human thioredoxin mutant

Analyse Crystal structure of S-nitrosated human thioredoxin mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OO5
Type
protein
Length
105 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thioredoxin
UniProt
P10599
Pockets
1 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThioredoxinprotein10541% helix, 28% strandP10599

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.350.7814empty

Modifications

Observed in the structure: 1 disulfide, 1 modified (disulfide, nonstandard).

Compared structures

  • 4OO5 · Crystal Structure of S-nitrosated Human Thioredoxin Mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P10599 · AlphaFold monomer V2.0 prediction for thioredoxin (P10599) · a predicted model of the same protein · chain A against A, TM-score 0.98

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