2024-01-13_00000260|ligand|8SWN

Bovine multidrug resistance protein 4 (MRP4) E1202Q mutant bound to ATP in MSP lipid nanodisc; Electron microscopy 3.10Å
Protein #1 1325 residues (86% resolved)

MQPVYPEVKPNPLRNANLCSRIFFWWLNPLFKIGHKRRLEEDDMYSVLPEDRSQHLGEELQGYWDQEVLRAEKDAREPSLTKAIIKCYWKSYVVLGIFTLIEESTRVVQPIILGKIIGYFENYDPSDSAALYEAHGYAGVLSACTLVLAILHHLYFYHVQCAGMRLRVAMCHMIYRKALRLSNSAMGKTTTGQIVNLLSNDVNKFDQVTIFLHFLWAGPLQAIVVTALLWMEIGISCLAGMAVLIILLPLQSCIGKLFSSLRSKTAAFTDTRIRTMNEVITGIRIIKMYAWEKSFADLITNLRRKEISKILRSSYLRGMNLASFFVASKIIVFVTFTTYVFLGNVITASRVFVAVSLYGAVRLTVTLFFPSAVEKVSEAFVSIRRIKNFLLLDEITQLHSQLPSDGKMIVNVQDFTAFWDKASDTPTLQSLSFTVRPGELLAVVGPVGAGKSSLLSAVLGELPPNQGQVSVHGRIAYVSQQPWVFSGTVRSNILFGKKYEKERYEKVIKACALKKDLQLLEDGDLTMIGDRGTTLSGGQKARVNLARAVYQDADIYLLDDPLSAVDAEVSRHLFELCICQALHEKIRILVTHQLQYLKAASQILILKDGQMVQKGTYTEFLKSGIDFGSLLKKENEEAEPSPVPGSPTLRNRTFSESSVWSQQSSRPSLKEATPEGQDTENIQVTLTEESRSEGKVGFKAYKNYFTAGAHWFIIIFLILVNLAAQVSYILQDWWLSYWANQQSALNVTVNGQGNVTEKLDLNWYLGIYSGLTASTVLFGIVRSLLVFFVLVSSSQTLHNQMFESILRAPVLFFDRNPIGRILNRFSKDIGHMDDLLPLTYLDFIQTFLQVIGVVGVAVAVIPWIAIPLVPLGIVFFVLRRYFLETSRDVKRLESTTRSPVFSHLSSSLQGLWTIRAYKAEQRFQELFDSHQDLHSEAWFLFLTTSRWFAVRLDAICAVFVIVVAFGSLILAKTLDAGQVGLALSYALTLMGMFQWCVRQSAEVENMMISVERVIEYTDLEKEAPWEYQKRPLPSWPHEGVIIFDNVNFSYSLDGPLVLKHLTALIKSKEKVGIVGRTGAGKSSLIAALFRLSEPEGKIWIDKILTTEIGLHDLRKKMSIIPQEPVLFTGTMRKNLDPFNEHSDEELWNALEEVQLKEAIEDLPGKMDTELAESGSNFSVGQRQLVCLARAILRKNRILIIDQATANVDPRTDELIQKKIREKFAHCTVLTIAHRLNTIIDSDKIMVLDSGRLKEYDEPYVLLQNRDSLFYKMVQQLGKAEAAALTETAKQVYFKRNYPDITHNGHVVMNASSGQPSAFTIFETAL

MQPVYPEVKPNPLRNANLCSRIFFWWLNPLFKIGHKRRLEEDDMYSVLPEDRSQHLGEELQGYWDQEVLRAEKDAREPSLTKAIIKCYWKSYVVLGIFTLIEESTRVVQPIILGKIIGYFENYDPSDSAALYEAHGYAGVLSACTLVLAILHHLYFYHVQCAGMRLRVAMCHMIYRKALRLSNSAMGKTTTGQIVNLLSNDVNKFDQVTIFLHFLWAGPLQAIVVTALLWMEIGISCLAGMAVLIILLPLQSCIGKLFSSLRSKTAAFTDTRIRTMNEVITGIRIIKMYAWEKSFADLITNLRRKEISKILRSSYLRGMNLASFFVASKIIVFVTFTTYVFLGNVITASRVFVAVSLYGAVRLTVTLFFPSAVEKVSEAFVSIRRIKNFLLLDEITQLHSQLPSDGKMIVNVQDFTAFWDKASDTPTLQSLSFTVRPGELLAVVGPVGAGKSSLLSAVLGELPPNQGQVSVHGRIAYVSQQPWVFSGTVRSNILFGKKYEKERYEKVIKACALKKDLQLLEDGDLTMIGDRGTTLSGGQKARVNLARAVYQDADIYLLDDPLSAVDAEVSRHLFELCICQALHEKIRILVTHQLQYLKAASQILILKDGQMVQKGTYTEFLKSGIDFGSLLKKENEEAEPSPVPGSPTLRNRTFSESSVWSQQSSRPSLKEATPEGQDTENIQVTLTEESRSEGKVGFKAYKNYFTAGAHWFIIIFLILVNLAAQVSYILQDWWLSYWANQQSALNVTVNGQGNVTEKLDLNWYLGIYSGLTASTVLFGIVRSLLVFFVLVSSSQTLHNQMFESILRAPVLFFDRNPIGRILNRFSKDIGHMDDLLPLTYLDFIQTFLQVIGVVGVAVAVIPWIAIPLVPLGIVFFVLRRYFLETSRDVKRLESTTRSPVFSHLSSSLQGLWTIRAYKAEQRFQELFDSHQDLHSEAWFLFLTTSRWFAVRLDAICAVFVIVVAFGSLILAKTLDAGQVGLALSYALTLMGMFQWCVRQSAEVENMMISVERVIEYTDLEKEAPWEYQKRPLPSWPHEGVIIFDNVNFSYSLDGPLVLKHLTALIKSKEKVGIVGRTGAGKSSLIAALFRLSEPEGKIWIDKILTTEIGLHDLRKKMSIIPQEPVLFTGTMRKNLDPFNEHSDEELWNALEEVQLKEAIEDLPGKMDTELAESGSNFSVGQRQLVCLARAILRKNRILIIDQATANVDPRTDELIQKKIREKFAHCTVLTIAHRLNTIIDSDKIMVLDSGRLKEYDEPYVLLQNRDSLFYKMVQQLGKAEAAALTETAKQVYFKRNYPDITHNGHVVMNASSGQPSAFTIFETAL
Non polymer #2 ATP

InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 PTY

InChI=1S/C40H80NO8P/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41)36-46-39(42)32-30-28-26-24-22-16-14-12-10-8-6-4-2/h38H,3-37,41H2,1-2H3,(H,44,45)/t38-/m1/s1

CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)CO[P@@](=O)(O)OCCN
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Reference