2026-04-18_00000020|ligand|12PL

Crystal Structure of serine/threonine-protein kinase (AEK1) from Trypanosoma cruzi in complex with LMS; X-ray diffraction 2.82Å
Protein #1 361 residues (90% resolved)

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRAN(SEP)FVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQSSQLNSRQQQLFTGF(SEP)CTADNHLNKNLEHHHHHH

MEKVTKDDFESLDVLGKGSFAYVVLVRRIGTNEYYAMKVVNKQGLLDHNRYRDVFVERNVLSRINHPYLLKLYWTFQSEHKLFFVMEYMPGGDLDKYMNNLPSKQFDLFTAKLYAAEILLALLFLHEHSVIYRDLKPENILLTGDGHCVLADFGLSKDFYNPKEGGDASTKDMRANSFVGSPFYVAPDVLKQSEYTNAVDFWSFGILLYRMLCGRTPFNGKSMREVFDNILYSDLRFPSSVQLPSEAKDLISRLLIKDANRRIKGPEIKAHLFWTGINFDEVMERKVKPPKWVPIPSPEQVMAERAKAEGASTSAKNPGQLVNTPAQSSQLNSRQQQLFTGFSCTADNHLNKNLEHHHHHH
Non polymer #2 LMS

InChI=1S/C10H14N6O6S/c11-8-5-9(14-2-13-8)16(3-15-5)10-7(18)6(17)4(22-10)1-21-23(12,19)20/h2-4,6-7,10,17-18H,1H2,(H2,11,13,14)(H2,12,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)N)O)O)N
Download coordinates
Reference