2024-10-26_00000219|ligand|9AZL

Cryo-EM structure of the ABC transporter PCAT1 bound with MgADP class1; Electron microscopy 2.99Å
Protein #1 750 residues (95% resolved)

MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVCVRQYDLTDCGAACLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFCSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLCIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCLGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNCDKIYLLKDGEIVESGSHTELIALKGCYFKMWKQTENTLAS

MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVCVRQYDLTDCGAACLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFCSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLCIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLCLGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNCDKIYLLKDGEIVESGSHTELIALKGCYFKMWKQTENTLAS
Non polymer #2 ADP

InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(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)OP(=O)(O)O)O)O)N
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
Non polymer #4 POV

InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h20-21,40H,6-19,22-39H2,1-5H3/b21-20-/t40-/m0/s1

CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CCCCCCCCC
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Reference