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MolNFT v1 · #146365 · protein + DNA

Kaiso (ZBTB33) E535A zinc finger DNA binding domain in complex with the specific kaiso binding sequence (kbs)

6DFA · Transcriptional regulator kaiso: “Kaiso (ZBTB33) E535A zinc finger DNA binding domain in complex with the specific kaiso binding sequence (kbs)”. X-ray diffraction, 2 ligands (ZN, CL), 4 pockets (best druggability 0.76). MolNFT v1…

PDB
6DFA
Type
protein + DNA
Length
156 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*TP*GP*CP*CP*AP*AP*TP*AP*…
UniProt
Q86T24
Ligands
ZN, CL
Pockets
4 · best druggability 0.76

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein12030% helix, 22% strandQ86T24
DDNA (5'- D(*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3')dna18——
EDNA (5'- D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11350.760.9425empty
21590.580.8224empty
31230.410.7617empty
4840.370.7719empty

Interfaces

3 interfaces between chains.

  • D–E · 835 Ų buried · 75 hydrogen bonds · nucleic-nucleic
  • A–D · 820 Ų buried · 12 hydrogen bonds · protein-nucleic
  • A–E · 748 Ų buried · 15 hydrogen bonds · protein-nucleic

Compared structures

  • 6DFA · Kaiso (ZBTB33) E535A zinc finger DNA binding domain in complex with the specific Kaiso… · 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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