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Crystal structure of human BCL6 btb domain in complex with compound 5

Analyse Crystal structure of human BCL6 btb domain in complex with compound 5 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TOG
Type
protein
Length
129 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein; Ala-TRP-val-ile-pro-ala
UniProt
P41182
Ligands
NQH, CL

Structure

x-ray diffraction · 2 distinct chains · 52% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein12454% helix, 11% strandP41182
BAla-TRP-val-ile-pro-alaprotein50% helix, 20% strand—

Ligands and binding sites

  • NQH · 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Interfaces

1 interface between chains.

  • A–B · 287 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6TOG · Crystal structure of human BCL6 BTB domain in complex with compound 5 · 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 A against A, TM-score 0.31

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