2024-10-26_00000120|ligand|8VP9

Cryo-EM structure of the cysteine-free ABC transporter PCAT1 bound with ADP and Substrate; Electron microscopy 3.18Å
Protein #1 750 residues (90% resolved)

MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVSVRQYDLTDSGAAVLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFFSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLAIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLALGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNADKIYLLKDGEIVESGSHTELIALKGLYFKMWKQTENTLAS

MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVSVRQYDLTDSGAAVLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFFSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLAIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLALGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNADKIYLLKDGEIVESGSHTELIALKGLYFKMWKQTENTLAS
Protein #2 113 residues (18% resolved)

MGHHHHHHHHHHSSGHIDDDDKHMSEAKKLNIGRELTDEELMEMTGGSTFSIQCQKDYTYKPSLPVVKYGVVIDEPEVVIKYGVGPIVGIKYGVEPIGPIQPMYGIKPVETLK

MGHHHHHHHHHHSSGHIDDDDKHMSEAKKLNIGRELTDEELMEMTGGSTFSIQCQKDYTYKPSLPVVKYGVVIDEPEVVIKYGVGPIVGIKYGVEPIGPIQPMYGIKPVETLK
Non polymer #3 A1ACX

InChI=1S/C24H50NO6P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(26)29-21-18-22-30-32(27,28)31-23-20-25(2,3)4/h5-23H2,1-4H3/p+1

CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C
Non polymer #4 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
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Reference