2024-04-06_00000165|ligand|8VSI

Mechanistic Insights Revealed by YbtPQ in the Occluded State; Electron microscopy 3.10Å
Protein #1 600 residues (95% resolved)

MSSQSSNTESLSRFPLWQVITPVRRKVILAMALAGLAALTSLGALLFLAWSLRDIRATPDAIPAWPLGGVIGCVVLTFVLRLQAFNTSHYAAFHLENILRSRLARKALQLPPGVLQQMGSGSVAKVMLDDVKSLHIFVADSTPLYARAIIMPLATIVILFWLDWRLAIATLGVLAFGSVVLVLARQRSENMAQRYHKAREQVSAAVIEFVQAMPVVRTFDSGSTSFLRYQRALEEWVDVLKTWYRKAGFSARFSFSILNPLPTLFVLIWSGYGLLHYGSFDFIAWVAVLLLGSGMAEAVMPMMMLNNLVAQTRLSIQRIYQVLAMPELSLPQSDQQPQEASITFEQVSFHYPQARTGAALQEVSFHVPAGQIVALVGPSGAGKSTVARLLLRYADPDKGHIRIGGVDLRDMQTDTLMKQLSFVFQDNFLFADTIANNIRLGAPDTPLEAVIAAARVAQAHDFISALPEGYNTRVGERGVFLSGGQRQRITIARALLQDRPILVLDEATAFADPENEAALIKALAAAMRGRTVIMVAHRLSMVTQADVILLFSDGQLREMGNHTQLLAQGGLYQRLWQHYQQAQHWVPGGTQEEVVENERQ

MSSQSSNTESLSRFPLWQVITPVRRKVILAMALAGLAALTSLGALLFLAWSLRDIRATPDAIPAWPLGGVIGCVVLTFVLRLQAFNTSHYAAFHLENILRSRLARKALQLPPGVLQQMGSGSVAKVMLDDVKSLHIFVADSTPLYARAIIMPLATIVILFWLDWRLAIATLGVLAFGSVVLVLARQRSENMAQRYHKAREQVSAAVIEFVQAMPVVRTFDSGSTSFLRYQRALEEWVDVLKTWYRKAGFSARFSFSILNPLPTLFVLIWSGYGLLHYGSFDFIAWVAVLLLGSGMAEAVMPMMMLNNLVAQTRLSIQRIYQVLAMPELSLPQSDQQPQEASITFEQVSFHYPQARTGAALQEVSFHVPAGQIVALVGPSGAGKSTVARLLLRYADPDKGHIRIGGVDLRDMQTDTLMKQLSFVFQDNFLFADTIANNIRLGAPDTPLEAVIAAARVAQAHDFISALPEGYNTRVGERGVFLSGGQRQRITIARALLQDRPILVLDEATAFADPENEAALIKALAAAMRGRTVIMVAHRLSMVTQADVILLFSDGQLREMGNHTQLLAQGGLYQRLWQHYQQAQHWVPGGTQEEVVENERQ
Protein #2 600 residues (97% resolved)

MKDNNPADNLAWRVIWRQLISSVGSQARMLRRSMLALLLAAFMQGIAFACLYPIIDALLRGDAPQLLNWAMAFSVAAIVTLVLRWYGLGFEYRGHLAQATHELRLRLGEQLRRVPLEKLQRGRAGEMNALLLGSVDENLNYVIAIANILLLTIVTPLTASLATLWIDWRLGLVMLLIFPLLVPFYYWRRPAMRRQMQTLGEAHQRLSGDIVEFAQGMMVLRTCGSDADKSRALLAHFNALENLQTRTHRQGAGATMLIASVVELGLQVVVLSGIVWVVTGTLNLAFLIAAVAMIMRFAEPMAMFISYTSVVELIASALQRIEQFMAIAPLPVAEQSEMPERYDIRFDNVSYRYEEGDGYALNHVSLTFPAASMSALVGASGAGKTTVTKLLMRYADPQQGQISIGGVDIRRLTPEQLNSLISVVFQDVWLFDDTLLANIRIARPQATRQEVEEAARAAQCLEFISRLPQGWLTPMGEMGGQLSGGERQRISIARALLKNAPVVILDEPTAALDIESELAVQKAIDNLVHNRTVIIIAHRLSTIAGAGNILVMEEGQVVEQGTHAQLLSHHGRYQALWQAQMAARVWRDDGVSASGEWVHE

MKDNNPADNLAWRVIWRQLISSVGSQARMLRRSMLALLLAAFMQGIAFACLYPIIDALLRGDAPQLLNWAMAFSVAAIVTLVLRWYGLGFEYRGHLAQATHELRLRLGEQLRRVPLEKLQRGRAGEMNALLLGSVDENLNYVIAIANILLLTIVTPLTASLATLWIDWRLGLVMLLIFPLLVPFYYWRRPAMRRQMQTLGEAHQRLSGDIVEFAQGMMVLRTCGSDADKSRALLAHFNALENLQTRTHRQGAGATMLIASVVELGLQVVVLSGIVWVVTGTLNLAFLIAAVAMIMRFAEPMAMFISYTSVVELIASALQRIEQFMAIAPLPVAEQSEMPERYDIRFDNVSYRYEEGDGYALNHVSLTFPAASMSALVGASGAGKTTVTKLLMRYADPQQGQISIGGVDIRRLTPEQLNSLISVVFQDVWLFDDTLLANIRIARPQATRQEVEEAARAAQCLEFISRLPQGWLTPMGEMGGQLSGGERQRISIARALLKNAPVVILDEPTAALDIESELAVQKAIDNLVHNRTVIIIAHRLSTIAGAGNILVMEEGQVVEQGTHAQLLSHHGRYQALWQAQMAARVWRDDGVSASGEWVHE
Non polymer #3 AOV

InChI=1S/C10H15N5O10P2.3H2O.O.V/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);3*1H2;;/q;;;;;+4/p-4/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)O[V](=O)(O)(O)O)O)O)N
Non polymer #4 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference