2026-06-13_00000004|ligand|10HM

Trypanosoma brucei CLK1 kinase domain in complex with a covalent Amidobenzimidazole (AB4) inhibitor; X-ray diffraction 2.40Å
Protein #1 370 residues (92% resolved)

MHHHHHHSSGLEVLFQGPSMHVLGEDIDASTGRFKILSLLGEGTFGKVVEAWDRKRKEYCAVKIVRNVPKYTRDAKIEIQFMERVRLSDVEDRFPLMKIQRYFQNETGHMCIVMPKYGPCLLDWIMKHGPFNHRHLAQIIFQVGAALDYFHTELHLMHTDLKPENILMESGDTSVDPMTHRALPPEPCRVRICDLGGCCDERHSRTAIVSTRHYRSPEVVLSLGWMYSTDLWSMGCIIYELYTGKLLYDTHDNLEHLHLMEKTLGRLPADWSVRCGTQEARDLFTAAGTLQPCKDPKHIARIARARPVREVITEPLLCDLILNLLHYDRQRRLNARQMMSHAYVHKYFPECRQHPNHVDNRSKLPPTPVM

MHHHHHHSSGLEVLFQGPSMHVLGEDIDASTGRFKILSLLGEGTFGKVVEAWDRKRKEYCAVKIVRNVPKYTRDAKIEIQFMERVRLSDVEDRFPLMKIQRYFQNETGHMCIVMPKYGPCLLDWIMKHGPFNHRHLAQIIFQVGAALDYFHTELHLMHTDLKPENILMESGDTSVDPMTHRALPPEPCRVRICDLGGCCDERHSRTAIVSTRHYRSPEVVLSLGWMYSTDLWSMGCIIYELYTGKLLYDTHDNLEHLHLMEKTLGRLPADWSVRCGTQEARDLFTAAGTLQPCKDPKHIARIARARPVREVITEPLLCDLILNLLHYDRQRRLNARQMMSHAYVHKYFPECRQHPNHVDNRSKLPPTPVM
Non polymer #2 A1C5R

InChI=1S/C25H29F3N6O2/c1-32(2)8-5-7-22(35)33-9-4-3-6-19(15-33)34-21-12-17(26)11-20(28)23(21)30-25(34)31-24(36)16-10-18(27)14-29-13-16/h10-14,19H,3-9,15H2,1-2H3,(H,30,31,36)/t19-/m1/s1

CN(C)CCCC(=O)N1CCCC[C@H](C1)n2c3cc(cc(c3nc2NC(=O)c4cc(cnc4)F)F)F
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference