EAE · (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one

Binding sites

EAE in 9 structures; the first of them:

• 6FYI · X-ray Structure of CLK2-KD(130-496)/TG003 at 2.6A · EAE A501 · binds LEU169, GLY170, PHE174, VAL177, ALA191, LYS193, GLU208, VAL227 and 8 more
• 6YTW · CLK3 bound with benzothiazole Tg003 (Cpd 2) · EAE A512 · binds PHE167, VAL170, ALA184, LYS186, VAL220, PHE236, GLU237, LEU238 and 2 more
• 6FYI · X-ray structure of CLK2-KD(130-496)/TG003 at 2.6A · EAE A501 · binds LEU169, GLY170, PHE174, VAL177, ALA191, LYS193, PHE243, GLU244 and 4 more
• 6V0Q · Crystal structure of the bromodomain of human BRD7 bound to TG003 · EAE A305 · binds PHE155, PHE156, VAL160, ILE164, ALA207, ASN211, TYR217, PHE163
• 6V0S · Crystal structure of the bromodomain of human BRD9 bound to TG003 · EAE A301 · binds PHE160, PHE161, PHE163, VAL165, ILE169, ALA212, ASN216, TYR222 and 3 more
• 6YTD · CLK1 V324A mutant bound with benzothiazole TG003 (cpd 2) · EAE A501 · binds LEU167, VAL175, ALA189, LYS191, PHE241, GLU242, LEU243, LEU244 and 3 more
• 6YTE · CLK1 bound with benzothiazole TG003 (cpd 2) · EAE C501 · binds LEU167, GLY168, PHE172, VAL175, ALA189, LYS191, PHE241, GLU242 and 6 more
• 6YTW · CLK3 bound with benzothiazole TG003 (cpd 2) · EAE A512 · binds PHE167, VAL170, ALA184, LYS186, VAL220, PHE236, GLU237, LEU238 and 2 more
• 6YTY · CLK3 A319V mutant bound with benzothiazole TG003 (cpd 2) · EAE A502 · binds LEU162, ALA184, LYS186, PHE236, GLU237, LEU238, LEU239, GLY240 and 2 more

Residues it binds most

PHE 15, LEU 9, VAL 14, ALA 15, GLY 9, GLU 9, ILE 6, LYS 9, ASN 6, TYR 6 (residue and the binding sites it lines).

Found with

• EDO · 1,2-ethanediol
• CL · Chloride ion
• PO4 · Phosphate ion
• GOL · Glycerol