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MolNFT v1 · #184277 · protein

Crystal structure of human BCL6 btb domain in complex with compound 12E

7OKK: “Crystal structure of human BCL6 btb domain in complex with compound 12E”. X-ray diffraction, 2 ligands (VH8, CL). MolNFT v1 #184277 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7OKK
Type
protein
Length
128 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P41182
Ligands
VH8, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein123—P41182
B—protein5——

Ligands and binding sites

  • VH8 · 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide · ligand · chains A
  • CL · Chloride ion · ion · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Compared structures

  • 7OKK · Crystal structure of human BCL6 BTB domain in complex with compound 12e · the same entry in another collection · chain B against B, 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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