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Insights into the alkyl peroxide reduction activity of xanthomonas campestris bacterioferritin comigratory protein from the trapped INTERMEDIATE/LIGAND complex structures

Analyse Insights into the alkyl peroxide reduction activity of xanthomonas campestris… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GKK
Type
protein
Length
156 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Bacterioferritin comigratory protein
EC
1.11.1.15
UniProt
Q8P9V9
Ligands
SO4
Pockets
2 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABacterioferritin comigratory protein (EC 1.11.1.15)protein15631% helix, 28% strandQ8P9V9

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1760.360.7719empty
2750.350.7614SO4

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 3GKK · Insights into the Alkyl Peroxide Reduction Activity of Xanthomonas campestris… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8P9V9 · AlphaFold monomer V2.0 prediction for peroxiredoxin bcp (Q8P9V9) · a predicted model of the same protein · chain A against A, TM-score 0.91

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