2026-07-18_00000014|ligand|11MQ

Crystal Structure of Fluorophore-binding Protein NovoTag657-holo; X-ray diffraction 2.38Å

Protein #1 135 residues (100% resolved)

Raw Sequence ...

ASREEIRATIERLLEEGKRVFTGLPPELLELMERGAELYIRAIADPTPENVEALRRGGLEFVDALSPLLTPEQRERARRLLELLRRAVLERTPEAIDAWLEEALRLAREVEPVFGPEAREVAERFYRALAELLRR

Canonical Sequence ...

ASREEIRATIERLLEEGKRVFTGLPPELLELMERGAELYIRAIADPTPENVEALRRGGLEFVDALSPLLTPEQRERARRLLELLRRAVLERTPEAIDAWLEEALRLAREVEPVFGPEAREVAERFYRALAELLRR

Non polymer #2 A1DMM

InChI=1S/C37H38F4N2O2/c1-7-43-25-16-24-22(15-21(25)18(2)17-36(43,3)4)26(27-28(35(44)45)31(39)33(41)32(40)30(27)38)23-14-19-10-8-12-42-13-9-11-20(34(19)42)29(23)37(24,5)6/h14-16,18H,7-13,17H2,1-6H3/p+1/t18-/m1/s1

InChI=1S/C37H38F4N2O2/c1-7-43-25-16-24-22(15-21(25)18(2)17-36(43,3)4)26(27-28(35(44)45)31(39)33(41)32(40)30(27)38)23-14-19-10-8-12-42-13-9-11-20(34(19)42)29(23)37(24,5)6/h14-16,18H,7-13,17H2,1-6H3/p+1/t18-/m1/s1

SMILES: CCN1c2cc3c(cc2[C@@H](CC1(C)C)C)C(=C4C=C5CCC[N+]6=C5C(=C4C3(C)C)CCC6)c7c(c(c(c(c7F)F)F)F)C(=O)O

CCN1c2cc3c(cc2[C@@H](CC1(C)C)C)C(=C4C=C5CCC[N+]6=C5C(=C4C3(C)C)CCC6)c7c(c(c(c(c7F)F)F)F)C(=O)O

Non polymer #3 ZN

InChI=1S/Zn/q+2

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Reference