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Crystal structure of the S505P mutant of tal effector DHAX3

Analyse Crystal structure of the S505P mutant of tal effector DHAX3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4OSZ
Type
protein + DNA
Length
1,047 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
7 · best druggability 0.80

Structure

x-ray diffraction · 4 distinct chains · 72% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHAX3protein49172% helix, 0% strandQ3ZD72
BHAX3protein48873% helix, 0% strandQ3ZD72
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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18740.800.83105empty
28850.780.82100empty
32210.570.7929empty
42480.510.7633empty
5760.460.8221empty

Interfaces

10 interfaces between chains.

  • B–G · 1690 Ų buried · 20 hydrogen bonds · protein-nucleic
  • A–I · 1683 Ų buried · 19 hydrogen bonds · protein-nucleic
  • G–H · 757 Ų buried · 81 hydrogen bonds · nucleic-nucleic
  • A–B · 751 Ų buried · 4 hydrogen bonds · protein-protein
  • I–J · 750 Ų buried · 75 hydrogen bonds · nucleic-nucleic

Compared structures

  • 4OSZ · Crystal structure of the S505P mutant of TAL effector dHax3 · the same entry in another collection · chain A against A, TM-score 1.00

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