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Apo structure of transcriptional factor arar from bacteroides thetaiotaomicron vpi

Analyse Apo structure of transcriptional factor arar from bacteroides thetaiotaomicron… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5DD4
Type
protein
Length
221 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator arar
UniProt
Q8AAV8
Pockets
3 · best druggability 0.47

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator ararprotein22131% helix, 30% strandQ8AAV8

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A
  • ACT · Acetate ion · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1900.470.8122EDO
2720.320.7519empty
3640.310.7515empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 5DD4 · Apo structure of transcriptional factor AraR from Bacteroides thetaiotaomicron VPI · the same entry in another collection · chain A against A, TM-score 1.00

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