2026-04-04_00000001|ligand|10HZ

Structure of CHK1 10-pt. mutant complex with macrocyclic LRRK2 inhibitor compound 7 ((10aS,13aS)-3-cyclobutyl-1-methyl-8-(trifluoromethyl)-3,4,10a,11,13a,14-hexahydro-10H,13H-9,5-(azeno)furo[3,4-k]pyrazolo[4,3-b][1,4,6,10]oxatriazacyclotridecine); X-ray diffraction 1.67Å
Protein #1 297 residues (88% resolved)

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH

MAVPFVEDWDLVQTLGEGAYGEVQLAVNRVTEEAVAVKIVDMKRAVDCPENIKKEICILKMLNHENVIKFYGHRREGNIQYLFMELASGGSLFDRIEPDIGMPEPDAQRFFHQLMAGVVYLHGIGITHRDIKPHNLLLDERDNLKIADYSLATVFRYNNRERLLNKMCGTLPYVAPELLKRREFHAEPVDVWSCGIVLTAMLAGELPWDQPSDSCQEYSDWKEKKTYLNPWKKIDSAPLALLHKILVENPSARITIPDIKKDRWYNKPLKKGAKRPRVTSGGVSESPSGHHHHHHHH
Non polymer #2 A1C5G

InChI=1S/C18H21F3N6O2/c1-9-14-16(27(26-9)11-3-2-4-11)25-17-22-5-12(18(19,20)21)15(24-17)23-13-8-28-6-10(13)7-29-14/h5,10-11,13H,2-4,6-8H2,1H3,(H2,22,23,24,25)/t10-,13+/m0/s1

Cc1c2c(n(n1)C3CCC3)Nc4ncc(c(n4)N[C@@H]5COC[C@H]5CO2)C(F)(F)F
Download coordinates
Reference