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Crystal structure of the BCL6 btb domain in complex with F1324

Analyse Crystal structure of the BCL6 btb domain in complex with F1324 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5H7G
Type
protein
Length
270 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein; F1324 peptide
UniProt
P41182
Ligands
SO4
Pockets
2 · best druggability 0.38

Structure

x-ray diffraction · 2 distinct chains · 48% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BB-cell lymphoma 6 proteinprotein12253% helix, 16% strandP41182
C, DF1324 peptideprotein130% helix, 23% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, C, B, D

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11060.380.7526empty
2540.320.7715empty

Interfaces

5 interfaces between chains.

  • A–B · 1654 Ų buried · 14 hydrogen bonds · protein-protein
  • A–C · 708 Ų buried · 17 hydrogen bonds · protein-protein
  • B–D · 666 Ų buried · 13 hydrogen bonds · protein-protein
  • A–D · 426 Ų buried · 3 hydrogen bonds · protein-protein
  • B–C · 414 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 5H7G · Crystal structure of the BCL6 BTB domain in complex with F1324 · the same entry in another collection · chain A against A, TM-score 1.00
  • P41182 · AlphaFold monomer V2.0 prediction for B-cell lymphoma 6 protein (P41182) · a predicted model of the same protein · chain B against A, TM-score 0.33

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