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Crystal structure of arabidopsis thaliana SUVH6 in complex with methylated DNA

Analyse Crystal structure of arabidopsis thaliana SUVH6 in complex with methylated DNA in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A5N
Type
protein + DNA
Length
528 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Histone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6; DNA…
EC
2.1.1.43
UniProt
Q8VZ17
Ligands
ZN
Pockets
7 · best druggability 0.80

Structure

x-ray diffraction · 3 distinct chains · 17% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHistone-lysine N-methyltransferase, H3 lysine-9 specific SUVH6 (EC 2.1.1.43)protein50217% helix, 25% strandQ8VZ17
CDNA (5'-D(*GP*AP*GP*TP*AP*CP*TP*(5CM)P*AP*GP*CP*AP*GP*T)- 3')dna13——
DDNA (5'-D(*CP*AP*CP*TP*GP*CP*TP*GP*AP*GP*TP*AP*CP*T)-3')dna13——

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111360.800.8281empty
29630.730.7778empty
32540.670.8431empty
43090.620.7950empty
5740.410.7918empty

Interfaces

3 interfaces between chains.

  • A–C · 832 Ų buried · 21 hydrogen bonds · protein-nucleic
  • C–D · 573 Ų buried · 49 hydrogen bonds · nucleic-nucleic
  • A–D · 484 Ų buried · 9 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 1 modified (nucleotide modification).

Compared structures

  • 6A5N · Crystal structure of Arabidopsis thaliana SUVH6 in complex with methylated DNA · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8VZ17 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase, H3 lysine-9… · a predicted model of the same protein · chain A against A, TM-score 0.95

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