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Crystal structure of the BCL6 btb domain in complex with compound 1A

Analyse Crystal structure of the BCL6 btb domain in complex with compound 1A in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5X9O
Type
protein
Length
130 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein
UniProt
P41182
Ligands
80R, K

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein13050% helix, 15% strandP41182

Ligands and binding sites

  • 80R · 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one · ligand · chains A
  • K · Potassium ion · metal · chains A
  • EDO · 1,2-ethanediol · additive · chains A

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

Compared structures

  • 5X9O · Crystal structure of the BCL6 BTB domain in complex with Compound 1a · 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 0.32

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