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MolNFT v1 · #137379 · protein + DNA

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

5VMU · Transcriptional regulator kaiso: “Kaiso (ZBTB33) zinc finger DNA binding domain in complex with a double cpg-methylated DNA resembling the…”. X-ray diffraction, 2 ligands (ZN, CL), 5 pockets (best druggability 0.69). MolNFT v1…

PDB
5VMU
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 0.69

Structure

x-ray diffraction · 3 distinct chains · 30% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein12130% 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
11520.690.8920empty
21320.550.8218empty
31360.430.7620empty
41020.360.7515empty
51100.350.7321empty

Interfaces

3 interfaces between chains.

  • A–E · 836 Ų buried · 22 hydrogen bonds · protein-nucleic
  • D–E · 833 Ų buried · 88 hydrogen bonds · nucleic-nucleic
  • A–D · 805 Ų buried · 13 hydrogen bonds · protein-nucleic

Modifications

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

Compared structures

  • 5VMU · 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 0.97

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