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Crystal structure of human BCL6 btb domain in complex with compound 1

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

PDB
7Q7R
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
9IH, CL

Structure

x-ray diffraction · 1 distinct chain · 54% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein13054% helix, 15% strandP41182

Ligands and binding sites

  • 9IH · 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1, 4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile · ligand · chains A
  • CL · Chloride ion · ion · chains A

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

Compared structures

  • 7Q7R · Crystal structure of human BCL6 BTB domain in complex with compound 1 · 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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