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

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

PDB
2LT7
Type
protein + DNA
Length
171 residues
Chains
3
Method
solution nmr
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
4 · best druggability 0.78

Structure

solution nmr · 3 distinct chains · 30% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulator kaisoprotein13330% helix, 20% 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11160.780.9720empty
22510.500.7532empty
31590.440.7523empty
41450.420.7516empty

Interfaces

3 interfaces between chains.

  • A–E · 1051 Ų buried · 35 hydrogen bonds · protein-nucleic
  • A–D · 1010 Ų buried · 17 hydrogen bonds · protein-nucleic
  • D–E · 843 Ų buried · 74 hydrogen bonds · nucleic-nucleic

Compared structures

  • 2LT7 · Solution NMR structure of Kaiso zinc finger DNA binding domain in complex with 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 0.94

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