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MolNFT v1 · #91218 · protein + DNA

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

4F6M · Transcriptional regulator kaiso: “Crystal structure of kaiso zinc finger DNA binding domain in complex with kaiso binding site DNA”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.75). MolNFT v1 #91218 on…

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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