GL1X · GenesisL1 explorer

MolNFT v1 · #165238 · protein

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

6TOL: “Crystal structure of human BCL6 btb domain in complex with compound 25A”. X-ray diffraction, 1 ligand (NQW). MolNFT v1 #165238 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6TOL
Type
protein
Length
130 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P41182
Ligands
NQW

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein130—P41182

Ligands and binding sites

  • NQW · 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-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 · 8 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · chains A

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

Compared structures

  • 6TOL · Crystal structure of human BCL6 BTB domain in complex with compound 25a · 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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