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Structure of the trichomonas vaginalis MYB3 DNA-binding domain bound to a promoter sequence reveals a unique C- terminal beta-hairpin conformation

Analyse Structure of the trichomonas vaginalis MYB3 DNA-binding domain bound to a… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3ZQC
Type
protein + DNA
Length
601 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
MYB3; Mre-1
UniProt
A2D9X4
Pockets
15 · best druggability 0.65

Structure

x-ray diffraction · 4 distinct chains · 54% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, D, GMYB3protein11853% helix, 0% strandA2D9X4
B, E, H, KMre-1dna16——
C, F, I, LMre-1dna16——
JMYB3protein11955% helix, 5% strandA2D9X4

Pockets

15 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15150.650.7754empty
24300.600.7648empty
33410.580.7638empty
42310.550.7835empty
51020.490.8116empty

Interfaces

17 interfaces between chains.

  • B–C · 727 Ų buried · 57 hydrogen bonds · nucleic-nucleic
  • E–F · 724 Ų buried · 57 hydrogen bonds · nucleic-nucleic
  • H–I · 713 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • K–L · 710 Ų buried · 46 hydrogen bonds · nucleic-nucleic
  • A–B · 617 Ų buried · 14 hydrogen bonds · protein-nucleic

Compared structures

  • 3ZQC · Structure of the Trichomonas vaginalis Myb3 DNA-binding domain bound to a promoter… · the same entry in another collection · chain A against A, TM-score 1.00

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