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Crystal structure of tal effector reveals the recognition between asparagine and adenine

Analyse Crystal structure of tal effector reveals the recognition between asparagine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OSJ
Type
protein + DNA
Length
1,040 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
HAX3; DNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3'); DNA (5'…
UniProt
Q3ZD72
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 6 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHAX3protein48768% helix, 0% strandQ3ZD72
IDNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3')dna16——
JDNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3')dna16——
BHAX3protein48971% helix, 0% strandQ3ZD72
GDNA (5'- D(*TP*GP*TP*CP*CP*CP*TP*TP*TP*AP*TP*CP*TP*CP*TP*CP*T)-3')dna16——
HDNA (5'- D(*AP*GP*AP*GP*AP*GP*AP*TP*AP*AP*AP*GP*GP*GP*AP*CP*A)-3')dna16——

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18230.810.8492empty
211870.780.8197empty
36700.620.7351empty
42060.530.7829empty

Interfaces

9 interfaces between chains.

  • A–I · 1713 Ų buried · 21 hydrogen bonds · protein-nucleic
  • B–G · 1706 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–B · 710 Ų buried · 3 hydrogen bonds · protein-protein
  • G–H · 696 Ų buried · 60 hydrogen bonds · nucleic-nucleic
  • I–J · 693 Ų buried · 72 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4OSJ · Crystal structure of TAL effector reveals the recognition between asparagine and adenine · the same entry in another collection · chain A against A, TM-score 1.00

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