2025-02-01_00000166|medium|9DZU

Cryo-EM structure of the C. neoformans lipid flippase Apt1-Cdc50 bound with butyrolactol A in the E2P state; Electron microscopy 2.72Å
Protein #1 411 residues (85% resolved)

MAIFNRKPKARLDGEPAPTEKEKVKWSKRPANTAFKQQRLKAWQPILTPKSVLPTLLIIGIIFAPIGALIVWGSGKVTTITLDYTECDVDAPTDGSYQAMPNSAYQYDLATSSSVSESSIASPTWTFSNDSSREVGETARCEIEFEVPYDLGPGLFLYYKLTNYYQNHRRYSSSFDATQLIGDSRSLSQINGGNCKPITSRDGKPYYPCGLIANSLFNDTFPSVVLLNPTNGAQNQTYNFSESGIAWGGIKKNYASTLTYISPSDVLPPPNWALKYPNGYVDGFPNLREDEHFQVWMRVAALPTFRKLWARNDGEIMSQGRYRIVANMNYPVKQFSGTKSIVISTVSWIGGKQPFLGWAYIAAAILCVVLAVAGLIRHLVKPRKLGDMSLLSWNQPNANGLHHHHHHHHHH

MAIFNRKPKARLDGEPAPTEKEKVKWSKRPANTAFKQQRLKAWQPILTPKSVLPTLLIIGIIFAPIGALIVWGSGKVTTITLDYTECDVDAPTDGSYQAMPNSAYQYDLATSSSVSESSIASPTWTFSNDSSREVGETARCEIEFEVPYDLGPGLFLYYKLTNYYQNHRRYSSSFDATQLIGDSRSLSQINGGNCKPITSRDGKPYYPCGLIANSLFNDTFPSVVLLNPTNGAQNQTYNFSESGIAWGGIKKNYASTLTYISPSDVLPPPNWALKYPNGYVDGFPNLREDEHFQVWMRVAALPTFRKLWARNDGEIMSQGRYRIVANMNYPVKQFSGTKSIVISTVSWIGGKQPFLGWAYIAAAILCVVLAVAGLIRHLVKPRKLGDMSLLSWNQPNANGLHHHHHHHHHH
Protein #2 1570 residues (71% resolved)

MGASKPPLVPRSKKHNPSWLDRNIVKPLESLAPSKLFARRRSPPVPRSVFINEPLPSEYYDKKGKILRAHHFATNQNVTSKYTVITFIPKNLFEQFRRVANCFFLAISILQFFPKFSTISPGLVILPLIIVLAITALKDGYEDIKRHQADHRTNHAIVHVLGGQDYTNQNPMASKDKTFIPAIPLPKRRSKKAKKAEEEAALNMQGRSSSTENFAAEPVPGAEPRGQDELQRMRSQVSNWDEDPEAGDSPGELGWHRTIWEDVKVGDFVKIYENEQFPADIVICATSEEEDVAYIETKNLDGETNLKSRNGVPGLSHLNTAEACAKAHLCIDLDAPESNMFRLNGAVINLEEYDEDEQHPIHPITLETTMLRGCVLKNTAWVIGIIVYTGEDTKIIRNAGATPSKRSKVEKQMNPQVIINLVILAAIAVVCAIVDHVNEVEWDRQQAYWMLFADTSGDNPNINGLVTFANAFITFQNIVPISLYISIEAVRTIQAAFIYWDRDIKYKKDGVTTRTTARSWNLSDDLGQIEYIFSDKTGTLTQNAMIFRQCSVGGKIYTGDGLPPSHPTITHQHQPPPVHQHDDQDDPIAKSASESDDSDPKKISTEDPDEIKVTLPKEVLATFHDAELDKDLEAHDSEQSRILHGFFAVLGLCHTVLAAETEPGVIEYKAQSPDEAALVQSAADVGFVFRGRDHNILRMSTPFSDVSDEYELLHVLEFNSARKRMSVILRKLDEDGRIFLLCKGADNVIFERLTKDSNQREMREKTDQDLQYFASEGLRTLCLAYRILDPQVYEQWAKEYHNATVALQDREERIESVSSSIERDLILLGATAIEDKLQDGVPDTISDLKRAGIKVWVATGDKLETAVAIGYTTNLLTKDTNLIVVREGRHSIGDQLREALEEFFGEDAGLRTTLSRIDSRRNSMDPPRLTRVNTGVRSLVGRDNGTRPGGFSLVIEGHALAHCFDDEETEALLLALSTRCNTVICCRVSPLQKAQIVHLIKDNLGVMCLAIGDGANDVSMIQAADVGVGISGEEGLQAVNSSDYAIAQFRYLKRLLLVHGHWSYFRNSSMILNFFYKNIIGIGVLFWFMIYCGWSTTYVFAYVYLLFWNVFWTLVPVIAIGLFDRNIDDETLMALPELYRASREGKYFGLMRFAYYIFEGVYQSAVIYFFLNYTYVTTTARGDGYDVYMYEMSTTQAIGAVMVANLFSGLNIDAWTGWVWFAIWFGPFLIWVFTAVYSVIPPSSFYTGVYGNDVFLFRSAAYWFGWPFVTIIALLPRYLIKTFRQNIFPNDVDTMRLVRKYHPEVDLYNHPMLGGKLAPKKDEDESDYGEEPFDGPEGRRSSIKMANLRHSHGAFGRGDQAGDMELGMGRKSLGNRPGLRSSMDSSRFGIHSGARGSTVDMSTGLEQPPSRGFGFTMEEGGVAIQRMQSRLSQTSSHASRSRWPRFNNNSSSSHPFETKPPSSMSKLRSRAGSILTRKRADTTDTRNSDDKSLSSPVKTGFFGRHMPGQNHGQHEGRSMGTPLKSETGRGDNWEEEELEDESLGRGFGVGQNMAPPEIPRMDYKDDDDKI

MGASKPPLVPRSKKHNPSWLDRNIVKPLESLAPSKLFARRRSPPVPRSVFINEPLPSEYYDKKGKILRAHHFATNQNVTSKYTVITFIPKNLFEQFRRVANCFFLAISILQFFPKFSTISPGLVILPLIIVLAITALKDGYEDIKRHQADHRTNHAIVHVLGGQDYTNQNPMASKDKTFIPAIPLPKRRSKKAKKAEEEAALNMQGRSSSTENFAAEPVPGAEPRGQDELQRMRSQVSNWDEDPEAGDSPGELGWHRTIWEDVKVGDFVKIYENEQFPADIVICATSEEEDVAYIETKNLDGETNLKSRNGVPGLSHLNTAEACAKAHLCIDLDAPESNMFRLNGAVINLEEYDEDEQHPIHPITLETTMLRGCVLKNTAWVIGIIVYTGEDTKIIRNAGATPSKRSKVEKQMNPQVIINLVILAAIAVVCAIVDHVNEVEWDRQQAYWMLFADTSGDNPNINGLVTFANAFITFQNIVPISLYISIEAVRTIQAAFIYWDRDIKYKKDGVTTRTTARSWNLSDDLGQIEYIFSDKTGTLTQNAMIFRQCSVGGKIYTGDGLPPSHPTITHQHQPPPVHQHDDQDDPIAKSASESDDSDPKKISTEDPDEIKVTLPKEVLATFHDAELDKDLEAHDSEQSRILHGFFAVLGLCHTVLAAETEPGVIEYKAQSPDEAALVQSAADVGFVFRGRDHNILRMSTPFSDVSDEYELLHVLEFNSARKRMSVILRKLDEDGRIFLLCKGADNVIFERLTKDSNQREMREKTDQDLQYFASEGLRTLCLAYRILDPQVYEQWAKEYHNATVALQDREERIESVSSSIERDLILLGATAIEDKLQDGVPDTISDLKRAGIKVWVATGDKLETAVAIGYTTNLLTKDTNLIVVREGRHSIGDQLREALEEFFGEDAGLRTTLSRIDSRRNSMDPPRLTRVNTGVRSLVGRDNGTRPGGFSLVIEGHALAHCFDDEETEALLLALSTRCNTVICCRVSPLQKAQIVHLIKDNLGVMCLAIGDGANDVSMIQAADVGVGISGEEGLQAVNSSDYAIAQFRYLKRLLLVHGHWSYFRNSSMILNFFYKNIIGIGVLFWFMIYCGWSTTYVFAYVYLLFWNVFWTLVPVIAIGLFDRNIDDETLMALPELYRASREGKYFGLMRFAYYIFEGVYQSAVIYFFLNYTYVTTTARGDGYDVYMYEMSTTQAIGAVMVANLFSGLNIDAWTGWVWFAIWFGPFLIWVFTAVYSVIPPSSFYTGVYGNDVFLFRSAAYWFGWPFVTIIALLPRYLIKTFRQNIFPNDVDTMRLVRKYHPEVDLYNHPMLGGKLAPKKDEDESDYGEEPFDGPEGRRSSIKMANLRHSHGAFGRGDQAGDMELGMGRKSLGNRPGLRSSMDSSRFGIHSGARGSTVDMSTGLEQPPSRGFGFTMEEGGVAIQRMQSRLSQTSSHASRSRWPRFNNNSSSSHPFETKPPSSMSKLRSRAGSILTRKRADTTDTRNSDDKSLSSPVKTGFFGRHMPGQNHGQHEGRSMGTPLKSETGRGDNWEEEELEDESLGRGFGVGQNMAPPEIPRMDYKDDDDKI
Non polymer #3 A1BD6

InChI=1S/C28H46O9/c1-18(16-14-12-10-8-6-5-7-9-11-13-15-17-28(2,3)4)19(29)20(30)21(31)22(32)23(33)26-24(34)25(35)27(36)37-26/h7-11,13,15,17-26,29-35H,5-6,12,14,16H2,1-4H3/b9-7-,10-8+,13-11+,17-15-/t18-,19-,20+,21+,22-,23-,24-,25-,26+/m1/s1

C[C@H](CCC/C=C/CC/C=CC=CC=C/C(C)(C)C)[C@H]([C@@H]([C@@H]([C@H]([C@H]([C@H]1[C@@H]([C@H](C(=O)O1)O)O)O)O)O)O)O
Non polymer #4 BEF

InChI=1S/Be.3FH/h;3*1H/q+2;;;/p-3

[Be-](F)(F)F
Non polymer #5 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #6 NAG

InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1

CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O
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Reference