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MolNFT v1 · #185680 · protein

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

7Q7V · B-cell lymphoma 6 protein: “Crystal structure of human BCL6 btb domain in complex with compound 12A”. X-ray diffraction, 1 ligand (9GR). MolNFT v1 #185680 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7Q7V
Type
protein
Length
131 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein
UniProt
P41182
Ligands
9GR

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein13151% helix, 15% strandP41182

Ligands and binding sites

  • 9GR · 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile · ligand · chains A
  • EDO · 1,2-ethanediol · additive · 2 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

  • 7Q7V · Crystal structure of human BCL6 BTB domain in complex with compound 12a · 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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