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MolNFT v1 · #91219 · protein + DNA

Crystal structure of kaiso zinc finger DNA binding protein in complex with methylated cpg site DNA

4F6N · Transcriptional regulator kaiso: “Crystal structure of kaiso zinc finger DNA binding protein in complex with methylated cpg site DNA”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.73). MolNFT v1 #91219 on…

PDB
4F6N
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(*GP*TP*GP*TP*CP*AP*CP*(5CM)P*GP*(5CM)…
UniProt
Q86T24
Ligands
ZN
Pockets
5 · best druggability 0.73

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein12030% helix, 22% strandQ86T24
DDNA (5'-D(*GP*TP*GP*TP*CP*AP*CP*(5CM)P*GP*(5CM) P*GP*TP*CP*TP*AP*TP*AP*CP*G)-3')dna19——
EDNA (5'-D(*CP*GP*TP*AP*TP*AP*GP*AP*(5CM)P*GP*(5CM) P*GP*GP*TP*GP*AP*CP*AP*C)-3')dna18——

Ligands and binding sites

  • ZN · Zinc ion · metal · 3 copies · chains A
  • GOL · Glycerol · additive · 2 copies · chains A, D, E

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
13090.730.8628GOL
21670.540.8023empty
31530.430.7617GOL
4770.320.7517empty
5700.290.7315empty

Interfaces

3 interfaces between chains.

  • D–E · 854 Ų buried · 81 hydrogen bonds · nucleic-nucleic
  • A–E · 786 Ų buried · 14 hydrogen bonds · protein-nucleic
  • A–D · 725 Ų buried · 15 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 4F6N · Crystal structure of Kaiso zinc finger DNA binding protein in complex with methylated CpG… · 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 0.97

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