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MolNFT v1 · #43961 · protein + DNA

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

2LT7 · Transcriptional regulator kaiso: “Solution NMR structure of kaiso zinc finger DNA binding domain in complex with kaiso binding site DNA”. Solution nmr, 1 ligand (ZN), 4 pockets (best druggability 0.78). MolNFT v1 #43961 on…

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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