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Crystal structure of kaiso zinc finger DNA binding domain in complex with kaiso binding site DNA

Analyse Crystal structure of kaiso zinc finger DNA binding domain in complex with kaiso… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4F6M
Type
protein + DNA
Length
154 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulator kaiso; DNA (5'- D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*…
UniProt
Q86T24
Ligands
ZN
Pockets
5 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 31% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein11631% helix, 22% strandQ86T24
DDNA (5'- D(*GP*TP*GP*CP*TP*TP*CP*CP*TP*GP*CP*CP*AP*AP*TP*AP*AP*CP*G)-3')dna19——
EDNA (5'- D(*CP*GP*TP*TP*AP*TP*TP*GP*GP*CP*AP*GP*GP*AP*AP*GP*CP*AP*C)-3')dna19——

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11690.750.9227empty
21270.560.8320empty
31430.430.7615empty
4950.420.7918empty
5580.300.769empty

Interfaces

3 interfaces between chains.

  • D–E · 852 Ų buried · 76 hydrogen bonds · nucleic-nucleic
  • A–D · 786 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–E · 728 Ų buried · 16 hydrogen bonds · protein-nucleic

Compared structures

  • 4F6M · Crystal structure of Kaiso zinc finger DNA binding domain in complex with Kaiso binding… · 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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