2025-03-08_00000087|ligand|8ZQ4

Structure of the Arabidopsis ABCB1 EQ mutant in the BL plus ATP bound state; Electron microscopy 3.80Å
Protein #1 1286 residues (92% resolved)

MDNDGGAPPPPPTLVVEEPKKAEIRGVAFKELFRFADGLDYVLMGIGSVGAFVHGCSLPLFLRFFADLVNSFGSNSNNVEKMMEEVLKYALYFLVVGAAIWASSWAEISCWMWSGERQTTKMRIKYLEAALNQDIQFFDTEVRTSDVVFAINTDAVMVQDAISEKLGNFIHYMATFVSGFIVGFTAVWQLALVTLAVVPLIAVIGGIHTTTLSKLSNKSQESLSQAGNIVEQTVVQIRVVMAFVGESRASQAYSSALKIAQKLGYKTGLAKGMGLGATYFVVFCCYALLLWYGGYLVRHHLTNGGLAIATMFAVMIGGLALGQSAPSMAAFAKAKVAAAKIFRIIDHKPTIERNSESGVELDSVTGLVELKNVDFSYPSRPDVKILNNFCLSVPAGKTIALVGSSGSGKSTVVSLIERFYDPNSGQVLLDGQDLKTLKLRWLRQQIGLVSQEPALFATSIKENILLGRPDADQVEIEEAARVANAHSFIIKLPDGFDTQVGERGLQLSGGQKQRIAIARAMLKNPAILLLDQATSALDSESEKLVQEALDRFMIGRTTLIIAHRLSTIRKADLVAVLQQGSVSEIGTHDELFSKGENGVYAKLIKMQEAAHETAMSNARKSSARPSSARNSVSSPIMTRNSSYGRSPYSRRLSDFSTSDFSLSIDASSYPNYRNEKLAFKDQANSFWRLAKMNSPEWKYALLGSVGSVICGSLSAFFAYVLSAVLSVYYNPDHEYMIKQIDKYCYLLIGLSSAALVFNTLQHSFWDIVGENLTKRVREKMLSAVLKNEMAWFDQEENESARIAARLALDANNVRSAIGDRISVIVQNTALMLVACTAGFVLQWRLALVLVAVFPVVVAATVLQKMFMTGFSGDLEAAHAKGTQLAGEAIANVRTVAAFNSEAKIVRLYTANLEPPLKRCFWKGQIAGSGYGVAQFCLYASYALGLWYASWLVKHGISDFSKTIRVFMVLMVSANGAAETLTLAPDFIKGGQAMRSVFELLDRKTEIEPDDPDTTPVPDRLRGEVELKHIDFSYPSRPDIQIFRDLSLRARAGKTLALVGPSGCGKSSVISLIQRFYEPSSGRVMIDGKDIRKYNLKAIRKHIAIVPQEPCLFGTTIYENIAYGHECATEAEIIQAATLASAHKFISALPEGYKTYVGERGVQLSGGQKQRIAIARALVRKAEIMLLDQATSALDAESERSVQEALDQACSGRTSIVVAHRLSTIRNAHVIAVIDDGKVAEQGSHSHLLKNHPDGIYARMIQLQRFTHTQVIGMTSGSSSRVKEDDA

MDNDGGAPPPPPTLVVEEPKKAEIRGVAFKELFRFADGLDYVLMGIGSVGAFVHGCSLPLFLRFFADLVNSFGSNSNNVEKMMEEVLKYALYFLVVGAAIWASSWAEISCWMWSGERQTTKMRIKYLEAALNQDIQFFDTEVRTSDVVFAINTDAVMVQDAISEKLGNFIHYMATFVSGFIVGFTAVWQLALVTLAVVPLIAVIGGIHTTTLSKLSNKSQESLSQAGNIVEQTVVQIRVVMAFVGESRASQAYSSALKIAQKLGYKTGLAKGMGLGATYFVVFCCYALLLWYGGYLVRHHLTNGGLAIATMFAVMIGGLALGQSAPSMAAFAKAKVAAAKIFRIIDHKPTIERNSESGVELDSVTGLVELKNVDFSYPSRPDVKILNNFCLSVPAGKTIALVGSSGSGKSTVVSLIERFYDPNSGQVLLDGQDLKTLKLRWLRQQIGLVSQEPALFATSIKENILLGRPDADQVEIEEAARVANAHSFIIKLPDGFDTQVGERGLQLSGGQKQRIAIARAMLKNPAILLLDQATSALDSESEKLVQEALDRFMIGRTTLIIAHRLSTIRKADLVAVLQQGSVSEIGTHDELFSKGENGVYAKLIKMQEAAHETAMSNARKSSARPSSARNSVSSPIMTRNSSYGRSPYSRRLSDFSTSDFSLSIDASSYPNYRNEKLAFKDQANSFWRLAKMNSPEWKYALLGSVGSVICGSLSAFFAYVLSAVLSVYYNPDHEYMIKQIDKYCYLLIGLSSAALVFNTLQHSFWDIVGENLTKRVREKMLSAVLKNEMAWFDQEENESARIAARLALDANNVRSAIGDRISVIVQNTALMLVACTAGFVLQWRLALVLVAVFPVVVAATVLQKMFMTGFSGDLEAAHAKGTQLAGEAIANVRTVAAFNSEAKIVRLYTANLEPPLKRCFWKGQIAGSGYGVAQFCLYASYALGLWYASWLVKHGISDFSKTIRVFMVLMVSANGAAETLTLAPDFIKGGQAMRSVFELLDRKTEIEPDDPDTTPVPDRLRGEVELKHIDFSYPSRPDIQIFRDLSLRARAGKTLALVGPSGCGKSSVISLIQRFYEPSSGRVMIDGKDIRKYNLKAIRKHIAIVPQEPCLFGTTIYENIAYGHECATEAEIIQAATLASAHKFISALPEGYKTYVGERGVQLSGGQKQRIAIARALVRKAEIMLLDQATSALDAESERSVQEALDQACSGRTSIVVAHRLSTIRNAHVIAVIDDGKVAEQGSHSHLLKNHPDGIYARMIQLQRFTHTQVIGMTSGSSSRVKEDDA
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 BLD

InChI=1S/C28H48O6/c1-14(2)15(3)24(31)25(32)16(4)18-7-8-19-17-13-34-26(33)21-11-22(29)23(30)12-28(21,6)20(17)9-10-27(18,19)5/h14-25,29-32H,7-13H2,1-6H3/t15-,16-,17-,18+,19-,20-,21+,22-,23+,24+,25+,27+,28+/m0/s1

C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2COC(=O)[C@@H]4[C@@]3(C[C@H]([C@H](C4)O)O)C)C)[C@H]([C@@H]([C@@H](C)C(C)C)O)O
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Reference