2026-09-05_00000187|ligand|9Q9X

Redesigned nitrobindin to bind fluorescent ligand; X-ray diffraction 1.78Å
Protein #1 187 residues (86% resolved)

GSSHHHHHHSSGENLYFQGSHMIQLQQLQNPGESPPVHPFVAPLSYLLGTWRGQGEGEYPTIPSFRYGEEIRFSHSGKPVIAYTQKTWKLESGAPMTAMSGYFRPRPDGSIEVVVTASHGAVAVFKGTYNVDEQSIKLKSDLVGNSSFMKEISAEFELVDGKLSYVVRMSTTTNPLQPLAKAILDKL

GSSHHHHHHSSGENLYFQGSHMIQLQQLQNPGESPPVHPFVAPLSYLLGTWRGQGEGEYPTIPSFRYGEEIRFSHSGKPVIAYTQKTWKLESGAPMTAMSGYFRPRPDGSIEVVVTASHGAVAVFKGTYNVDEQSIKLKSDLVGNSSFMKEISAEFELVDGKLSYVVRMSTTTNPLQPLAKAILDKL
Non polymer #2 A1I5B

InChI=1S/C28H31N5O5/c1-8-9-29-20(34)12-32-25(35)16-10-19(31-14(4)5)24-22-17(26(36)33(15(6)7)28(24)38)11-18(30-13(2)3)23(21(16)22)27(32)37/h1,10-11,13-15,30-31H,9,12H2,2-7H3,(H,29,34)

CC(C)Nc1cc2c3c4c1C(=O)N(C(=O)c4cc(c3C(=O)N(C2=O)CC(=O)NCC#C)NC(C)C)C(C)C
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
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