2026-04-25_00000173|ligand|9RP6

Crystal structure of covalent PDE6delta adduct modified by compound 13b; X-ray diffraction 1.80Å
Protein #1 156 residues (94% resolved)

HHHHHHMSAKDERAREILRGFKLNWMNLRDAETGKILWQGTEDLSVPGVEHEARVPKKILKCKAVSRELNFSSTEQMEKFRLEQKVYFKGQCLEEWFFEFGFVIPNSTNTWQSLIEAAPESQMMPASVLTGNVIIETKFFDDDLLVSTSRVRLFYV

HHHHHHMSAKDERAREILRGFKLNWMNLRDAETGKILWQGTEDLSVPGVEHEARVPKKILKCKAVSRELNFSSTEQMEKFRLEQKVYFKGQCLEEWFFEFGFVIPNSTNTWQSLIEAAPESQMMPASVLTGNVIIETKFFDDDLLVSTSRVRLFYV
Non polymer #2 A1JIC

InChI=1S/C33H45N7O3S/c1-22-9-11-30(12-10-22)40-27(6)31-26(5)36-39(33(41)32(31)37-40)17-7-8-18-44(42,43)38(20-28-13-15-34-16-14-28)21-29-19-23(2)24(3)35-25(29)4/h9-12,19,28,34H,7-8,13-18,20-21H2,1-6H3

Cc1ccc(cc1)n2c(c3c(n2)C(=O)N(N=C3C)CCCCS(=O)(=O)N(Cc4cc(c(nc4C)C)C)CC5CCNCC5)C
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Reference