2024-10-26_00000120
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ligand
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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)
Raw Sequence ...
MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVSVRQYDLTDSGAAVLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFFSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLAIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLALGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNADKIYLLKDGEIVESGSHTELIALKGLYFKMWKQTENTLAS
Canonical Sequence ...
MGHHHHHHHHHHSSGHIDDDDKHMLRRLFKKKYVSVRQYDLTDSGAAVLSSIAQYYGLKMSLAKIREMTGTDTQGTNAYGLIHAAKQLGFSAKGVKASKEDLLKDFRLPAIANVIVDNRLAHFVVIYSIKNRIITVADPGKGIVRYSMDDFFSIWTGGLVLLEPGEAFQKGDYTQNMMVKFAGFLKPLKKTVLAIFLASLLYTALGIAGSFYIKFLFDDLIKFEKLNDLHIISAGFAVIFLLQIFLNYYRSILVTKLGMSIDKSIMMEYYSHVLKLPMNFFNSRKVGEIISRFMDASKIRQAISGATLTIMIDTIMAVIGGILLYIQNSSLFFISFIIILLYGIIVTVFNKPIQNANRQIMEDNAKLTSALVESVKGIETIKSFGAEEQTEKSTRDKIETVMKSSFKEGMLYINLSSLTGIVAGLGGIVILWAGAYNVIKGNMSGGQLLAFNALLAYFLTPVKNLIDLQPLIQTAVVASNRLGEILELATEKELREDSDDFVISLKGDIEFRNVDFRYGLRKPVLKNINLTIPKGKTVAIVGESGSGKTTLAKLLMNFYSPEKGDILINGHSIKNISLELIRKKIAFVSQDVFIFSGTVKENLALGNENVDMDEIIKAAKMANAHDFIEKLPLKYDTFLNESGANLSEGQKQRLAIARALLKKPDILILDEATSNLDSITENHIKDAIYGLEDDVTVIIIAHRLSTIVNADKIYLLKDGEIVESGSHTELIALKGLYFKMWKQTENTLAS
Protein #2
113 residues (18% resolved)
Raw Sequence ...
MGHHHHHHHHHHSSGHIDDDDKHMSEAKKLNIGRELTDEELMEMTGGSTFSIQCQKDYTYKPSLPVVKYGVVIDEPEVVIKYGVGPIVGIKYGVEPIGPIQPMYGIKPVETLK
Canonical Sequence ...
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
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
SMILES: CCCCCCCCCCCCCCCC(=O)OCCCOP(=O)(O)OCC[N+](C)(C)C
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
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
SMILES: 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
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
Biounit #1
hetero-2-2-mer
Download coordinates
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Model
Reference
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