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Human TCF4 C-terminal bhlh domain in complex with 11-bp oligonucleotide containing E-box sequence

Analyse Human TCF4 C-terminal bhlh domain in complex with 11-bp oligonucleotide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OD4
Type
protein + DNA
Length
248 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcription factor 4; DNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3')
UniProt
P15884
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 79% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTranscription factor 4protein6180% helix, 0% strandP15884
GTranscription factor 4protein5379% helix, 0% strandP15884
HTranscription factor 4protein5377% helix, 0% strandP15884
X, WDNA (5'-D(*TP*AP*CP*AP*CP*GP*TP*GP*TP*A)-3')dna10——

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains X, W

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11200.790.9721empty
26840.700.7753empty
3530.310.7611empty

Interfaces

11 interfaces between chains.

  • G–H · 1031 Ų buried · 2 hydrogen bonds · protein-protein
  • A–B · 1023 Ų buried · 2 hydrogen bonds · protein-protein
  • X–W · 519 Ų buried · 42 hydrogen bonds · nucleic-nucleic
  • B–X · 430 Ų buried · 10 hydrogen bonds · protein-nucleic
  • A–W · 424 Ų buried · 8 hydrogen bonds · protein-nucleic

Compared structures

  • 6OD4 · Human TCF4 C-terminal bHLH domain in Complex with 11-bp Oligonucleotide Containing E-box… · the same entry in another collection · chain W against W, TM-score 1.00
  • P15884 · AlphaFold monomer V2.0 prediction for transcription factor 4 (P15884) · a predicted model of the same protein · chain A against A, TM-score 0.91

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