2026-08-15_00000074|hard|36NQ

Isoreticular co-crystal 1 with symmetrical expanded duplex (31mer) containing insert sequence CCCGGCCGGA with G-G mismatch and pendant fluorescein; X-ray diffraction 3.25Å
DNA #1 31 bases

(DG)(DC)(DC)(DG)(DG)(DA)(DC)(DC)(DT)(DG)(DT)(DG)(DA)(DC)(DA)(DA)(DA)(DT)(DT)(DG)(DC)(DC)(DC)(DT)(DC)(DA)(DG)(DC)(DC)(DC)(DG)

GCCGGACCTGTGACAAATTGCCCTCAGCCCG
DNA #2 31 bases

(DC)(DC)(DG)(DG)(DG)(DC)(DT)(DG)(DA)(DG)(DG)(DG)(DC)(DA)(DA)(DT)(DT)(DT)(DG)(DT)(DC)(DA)(DC)(DA)(DG)(DG)(DT)(DC)(DG)(DG)(DG)

CCGGGCTGAGGGCAATTTGTCACAGGTCGGG
Protein #3 263 residues (85% resolved)

MRGSHHHHHHGSMAETAVINHKKRKNSPRIVQSNDLTEAAYSLSRDQKRMLYLFVDQIRKSDGTLQEHDGICEIHVAKYAEIFGLTSAEASKDIRQALKSFAGKEVVFYRPEEDAGDEKGYESFPWFIKPAHSPSRGLYSVHINPYLIPFFIGIQNRFTQFRLSETKEITNPYAMRLYESLCQYRKPDGSGIVSLKIDWIIERYQLPQSYQRMPDFRRRFLQVCVNEINSRTPMRLSYIEKKKGRQTTHIVFSFRDITSMTTG

MRGSHHHHHHGSMAETAVINHKKRKNSPRIVQSNDLTEAAYSLSRDQKRMLYLFVDQIRKSDGTLQEHDGICEIHVAKYAEIFGLTSAEASKDIRQALKSFAGKEVVFYRPEEDAGDEKGYESFPWFIKPAHSPSRGLYSVHINPYLIPFFIGIQNRFTQFRLSETKEITNPYAMRLYESLCQYRKPDGSGIVSLKIDWIIERYQLPQSYQRMPDFRRRFLQVCVNEINSRTPMRLSYIEKKKGRQTTHIVFSFRDITSMTTG
Non polymer #4 A1DQB

InChI=1S/C29H28N2O7/c1-17(32)30-12-4-2-3-5-13-31-28(35)18-6-9-21(29(36)37)24(14-18)27-22-10-7-19(33)15-25(22)38-26-16-20(34)8-11-23(26)27/h6-11,14-16,33H,2-5,12-13H2,1H3,(H,30,32)(H,31,35)(H,36,37)

CC(=O)NCCCCCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=O)C=C3Oc4c2ccc(c4)O)C(=O)O
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference