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MolNFT v1 · #165240 · protein

Crystal structure of human BCL6 btb domain in complex with compound 25B

6TON: “Crystal structure of human BCL6 btb domain in complex with compound 25B”. X-ray diffraction, 1 ligand (NR5). MolNFT v1 #165240 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TON
Type
protein
Length
130 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P41182
Ligands
NR5

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein125—P41182
B—protein5——

Ligands and binding sites

  • NR5 · 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl) pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Compared structures

  • 6TON · Crystal structure of human BCL6 BTB domain in complex with compound 25b · 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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