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Crystal structure of the DNA-bound DHAX3, a tal effector, at 1.85 ångström

Analyse Crystal structure of the DNA-bound DHAX3, a tal effector, at 1.85 ångström in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3V6T
Type
protein + DNA
Length
1,046 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DHAX3; DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'); DNA (5'…
Pockets
8 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 73% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADHAX3protein49174% helix, 0% strand—
BDHAX3protein48772% helix, 0% strand—
G, IDNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3')dna17——
H, JDNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3')dna17——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17950.810.8495empty
28200.800.84105empty
32440.520.7526empty
41560.360.7218empty
51330.350.7217empty

Interfaces

9 interfaces between chains.

  • A–I · 1691 Ų buried · 20 hydrogen bonds · protein-nucleic
  • B–G · 1666 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–B · 760 Ų buried · 3 hydrogen bonds · protein-protein
  • I–J · 753 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • G–H · 738 Ų buried · 60 hydrogen bonds · nucleic-nucleic

Compared structures

  • 3V6T · Crystal structure of the DNA-bound dHax3, a TAL effector, at 1.85 angstrom · the same entry in another collection · chain A against A, TM-score 1.00

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