2024-01-06_00000207|ligand|8TXY

X-ray crystal structure of JRD-SIK1/2i-3 bound to a MARK2-SIK2 chimera; X-ray diffraction 2.10Å
Protein #1 317 residues (96% resolved)

QPHIGNYRLLKTLGKGNFAVVKLARHILTGKEVAIKIIDKTQLNSSSLQKIFREVRIMKVLNHPNIIKLFEVIETEKTLYLVTEYAKNGEVFDYLVAHGRMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFGNEFTFGNKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWMNVGHEDDELKPYVEPLPDYKDPRRTELMVSMGYTREEIQDSLVGQRYNEVMATYLLLGY

QPHIGNYRLLKTLGKGNFAVVKLARHILTGKEVAIKIIDKTQLNSSSLQKIFREVRIMKVLNHPNIIKLFEVIETEKTLYLVTEYAKNGEVFDYLVAHGRMKEKEARAKFRQIVSAVQYCHQKFIVHRDLKAENLLLDADMNIKIADFGFGNEFTFGNKLDTFCGSPPYAAPELFQGKKYDGPEVDVWSLGVILYTLVSGSLPFDGQNLKELRERVLRGKYRIPFYMSTDCENLLKKFLILNPSKRGTLEQIMKDRWMNVGHEDDELKPYVEPLPDYKDPRRTELMVSMGYTREEIQDSLVGQRYNEVMATYLLLGY
Non polymer #2 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #3 SJ0

InChI=1S/C23H24N6O2/c1-28-6-4-15(13-28)14-31-21-12-25-18(11-24)9-20(21)17-5-7-29-19(8-17)10-22(27-29)26-23(30)16-2-3-16/h5,7-10,12,15-16H,2-4,6,13-14H2,1H3,(H,26,27,30)/t15-/m1/s1

CN1CC[C@H](C1)COc2cnc(cc2c3ccn4c(c3)cc(n4)NC(=O)C5CC5)C#N
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Reference