Ligand · XB6

XB6 · [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

XB6, [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen…

Component: XB6
Formula: C42 H47 N9 O16 P2
Class: ligand
Structures: 2
PDB entries: 2

Binding sites

XB6 in 2 structures; the first of them:

8F30 · LSD1-CoREST in complex with AW2, long soaking · XB6 A901 · binds ILE284, GLY285, SER286, GLY287, VAL288, SER289, LEU307, GLU308 and 36 more
8F59 · LSD1-CoREST in complex with AW2 and SNAG peptide · XB6 A901 · binds ILE284, GLY285, SER286, GLY287, VAL288, SER289, GLY290, LEU307 and 38 more

Residues it binds most

VAL 2, GLY 2, ALA 2, LEU 2, THR 2, SER 2, ARG 2, GLU 2, HIS 2, TRP 2 (residue and the binding sites it lines).

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