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Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double cpg-methylated DNA resembling the specific kaiso binding sequence (kbs)

Analyse Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VMW
Type
protein + DNA
Length
157 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator kaiso; DNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM)…
UniProt
Q86T24
Ligands
ZN, CL
Pockets
5 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein12131% helix, 21% strandQ86T24
DDNA (5'-D(*TP*GP*CP*TP*TP*CP*CP*(5CM)P*GP*(5CM) P*GP*AP*AP*TP*AP*AP*CP*G)-3')dna18——
EDNA (5'-D(*CP*GP*TP*TP*AP*TP*TP*(5CM)P*GP*(5CM) P*GP*GP*GP*AP*AP*GP*CP*A)-3')dna18——

Ligands and binding sites

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

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11860.720.8923empty
21520.560.8119empty
3850.380.7716empty
41080.380.7518empty
51020.330.7320empty

Interfaces

3 interfaces between chains.

  • D–E · 832 Ų buried · 84 hydrogen bonds · nucleic-nucleic
  • A–E · 828 Ų buried · 21 hydrogen bonds · protein-nucleic
  • A–D · 810 Ų buried · 15 hydrogen bonds · protein-nucleic

Modifications

Observed in the structure: 4 modified (nucleotide modification).

Compared structures

  • 5VMW · Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double CpG-methylated DNA… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q86T24 · AlphaFold monomer V2.0 prediction for transcriptional regulator kaiso (Q86T24) · a predicted model of the same protein · chain A against A, TM-score 0.98

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