2024-10-05_00000164|hard|9BFD

Tyrocidine synthetase modules 1 and 2 crosslinked in the condensation state, complex A; Electron microscopy 2.97Å
Protein #1 1098 residues (50% resolved)

MVANQANLIDNKRELEQHALVPYAQGKSIHQLFEEQAEAFPDRVAIVFENRRLSYQELNRKANQLARALLEKGVQTDSIVGVMMEKSIENVIAILAVLKAGGAYVPIDIEYPRDRIQYILQDSQTKIVLTQKSVSQLVHDVGYSGEVVVLDEEQLDARETANLHQPSKPTDLAYVIYTSGTTGKPKGTMLEHKGIANLQSFFQNSFGVTEQDRIGLFASMSFDASVWEMFMALLSGASLYILSKQTIHDFAAFEHYLSENELTIITLPPTYLTHLTPERITSLRIMITAGSASSAPLVNKWKDKLRYINAYGPTETSICATIWEAPSNQLSVQSVPIGKPIQNTHIYIVNEDLQLLPTGSEGELCIGGVGLARGYWNRPDLTAEKFVDNPFVPGEKMYRTGDLAKWLTDGTIEFLGRIDHQVKIRGHRIELGEIESVLLAHEHITEAVVIAREDQHAGQYLCAYYISQQEATPAQLRDYAAQKLPAYMLPSYFVKLDKMPLTPNDKIDRKALPEPDLTANQSQAAYHPPRTETESILVSIWQNVLGIEKIGIRDNFYSLGGDSIQAIQVVARLHSYQLKLETKDLLNYPTIEQVALFVKSTTRKSDQGIIAGNVPLTPIQKWFFGKNFTNTGHWNQSSVLYRPEGFDPKVIQSVMDKIIEHHDALRMVYQHENGNVVQHNRGLGGQLYDFFSYNLTAQPDVQQAIEAETQRLHSSMNLQEGPLVKVALFQTLHGDHLFLAIHHLVVDGISWRILFEDLATGYAQALAGQAISLPEKTDSFQSWSQWLQEYANEADLLSEIPYWESLESQAKNVSLPKDYEVTDCKQKSVRNMRIRLHPEETEQLLKHANQAYQTEINDLLLAALGLAFAEWSKLAQIVIHLEGHGREDIIEQANVARTVGWFTSQYPVLLDLKQTAPLSDYIKLTKENMRKIPRKGIGYDILKHVTLPENRGSLSFRVQPEVTFNYLGQFDADMRTELFTRSPYSGGNTLGADGKNNLSPESEVYTALNITGLIEGGELVLTFSYSSEQYREESIQQLSQSYQKHLLAIIAHCTEKKEVERTPSDFSVKGLQMEEMDDIFELLANRLRGSRSHHHHHH

MVANQANLIDNKRELEQHALVPYAQGKSIHQLFEEQAEAFPDRVAIVFENRRLSYQELNRKANQLARALLEKGVQTDSIVGVMMEKSIENVIAILAVLKAGGAYVPIDIEYPRDRIQYILQDSQTKIVLTQKSVSQLVHDVGYSGEVVVLDEEQLDARETANLHQPSKPTDLAYVIYTSGTTGKPKGTMLEHKGIANLQSFFQNSFGVTEQDRIGLFASMSFDASVWEMFMALLSGASLYILSKQTIHDFAAFEHYLSENELTIITLPPTYLTHLTPERITSLRIMITAGSASSAPLVNKWKDKLRYINAYGPTETSICATIWEAPSNQLSVQSVPIGKPIQNTHIYIVNEDLQLLPTGSEGELCIGGVGLARGYWNRPDLTAEKFVDNPFVPGEKMYRTGDLAKWLTDGTIEFLGRIDHQVKIRGHRIELGEIESVLLAHEHITEAVVIAREDQHAGQYLCAYYISQQEATPAQLRDYAAQKLPAYMLPSYFVKLDKMPLTPNDKIDRKALPEPDLTANQSQAAYHPPRTETESILVSIWQNVLGIEKIGIRDNFYSLGGDSIQAIQVVARLHSYQLKLETKDLLNYPTIEQVALFVKSTTRKSDQGIIAGNVPLTPIQKWFFGKNFTNTGHWNQSSVLYRPEGFDPKVIQSVMDKIIEHHDALRMVYQHENGNVVQHNRGLGGQLYDFFSYNLTAQPDVQQAIEAETQRLHSSMNLQEGPLVKVALFQTLHGDHLFLAIHHLVVDGISWRILFEDLATGYAQALAGQAISLPEKTDSFQSWSQWLQEYANEADLLSEIPYWESLESQAKNVSLPKDYEVTDCKQKSVRNMRIRLHPEETEQLLKHANQAYQTEINDLLLAALGLAFAEWSKLAQIVIHLEGHGREDIIEQANVARTVGWFTSQYPVLLDLKQTAPLSDYIKLTKENMRKIPRKGIGYDILKHVTLPENRGSLSFRVQPEVTFNYLGQFDADMRTELFTRSPYSGGNTLGADGKNNLSPESEVYTALNITGLIEGGELVLTFSYSSEQYREESIQQLSQSYQKHLLAIIAHCTEKKEVERTPSDFSVKGLQMEEMDDIFELLANRLRGSRSHHHHHH
Protein #2 1052 residues (98% resolved)

MGVFSKEQVQDMYALTPMQEGMLFHALLDQEHNSHLVQMSISLQGDLDVGLFTDSLHVLVERYDVFRTLFLYEKLKQPLQVVLKQRPIPIEFYDLSACDESEKQLRYTQYKRADQERTFHLAKDPLMRVALFQMSQHDYQVIWSFHHILMDGWCFSIIFDDLLAIYLSLQNKTALSLEPVQPYSRFINWLEKQNKQAALNYWSDYLEAYEQKTTLPKKEAAFAKAFQPTQYRFSLNRTLTKQLGTIASQNQVTLSTVIQTIWGVLLQKYNAAHDVLFGSVVSGRPTDIVGIDKMVGLFINTIPFRVQAKAGQTFSELLQAVHKRTLQSQPYEHVPLYDIQTQSVLKQELIDHLLVIENYPLVEALQKKALNQQIGFTITAVEMFEPTNYDLTVMVMPKEELAFRFDYNAALFDEQVVQKLAGHLQQIADCVANNSGVELCQIPLLTEAETSQLLAKRTETAADYPAATMHELFSRQAEKTPEQVAVVFADQHLTYRELDEKSNQLARFLRKKGIGTGSLVGTLLDRSLDMIVGILGVLKAGGAFVPIDPELPAERIAYMLTHSRVPLVVTQNHLRAKVTTPTETIDINTAVIGEESRAPIESLNQPHDLFYIIYTSGTTGQPKGVMLEHRNMANLMHFTFDQTNIAFHEKVLQYTTCSFDVCYQEIFSTLLSGGQLYLITNELRRHVEKLFAFIQEKQISILSLPVSFLKFIFNEQDYAQSFPRCVKHIITAGEQLVVTHELQKYLRQHRVFLHNHYGPSETHVVTTCTMDPGQAIPELPPIGKPISNTGIYILDEGLQLKPEGIVGELYISGANVGRGYLHQPELTAEKFLDNPYQPGERMYRTGDLARWLPDGQLEFLGRIDHQVKIRGHRIELGEIESRLLNHPAIKEAVVIDRADETGGKFLCAYVVLQKALSDEEMRAYLAQALPEYMIPSFFVTLERIPVTPNGKTDRRALPKPEGSAKTKADYVAPTTELEQKLVAIWEQILGVSPIGIQDHFFTLGGHSLKAIQLISRIQKECQADVPLRVLFEQPTIQALAAYVELEHHHHHH

MGVFSKEQVQDMYALTPMQEGMLFHALLDQEHNSHLVQMSISLQGDLDVGLFTDSLHVLVERYDVFRTLFLYEKLKQPLQVVLKQRPIPIEFYDLSACDESEKQLRYTQYKRADQERTFHLAKDPLMRVALFQMSQHDYQVIWSFHHILMDGWCFSIIFDDLLAIYLSLQNKTALSLEPVQPYSRFINWLEKQNKQAALNYWSDYLEAYEQKTTLPKKEAAFAKAFQPTQYRFSLNRTLTKQLGTIASQNQVTLSTVIQTIWGVLLQKYNAAHDVLFGSVVSGRPTDIVGIDKMVGLFINTIPFRVQAKAGQTFSELLQAVHKRTLQSQPYEHVPLYDIQTQSVLKQELIDHLLVIENYPLVEALQKKALNQQIGFTITAVEMFEPTNYDLTVMVMPKEELAFRFDYNAALFDEQVVQKLAGHLQQIADCVANNSGVELCQIPLLTEAETSQLLAKRTETAADYPAATMHELFSRQAEKTPEQVAVVFADQHLTYRELDEKSNQLARFLRKKGIGTGSLVGTLLDRSLDMIVGILGVLKAGGAFVPIDPELPAERIAYMLTHSRVPLVVTQNHLRAKVTTPTETIDINTAVIGEESRAPIESLNQPHDLFYIIYTSGTTGQPKGVMLEHRNMANLMHFTFDQTNIAFHEKVLQYTTCSFDVCYQEIFSTLLSGGQLYLITNELRRHVEKLFAFIQEKQISILSLPVSFLKFIFNEQDYAQSFPRCVKHIITAGEQLVVTHELQKYLRQHRVFLHNHYGPSETHVVTTCTMDPGQAIPELPPIGKPISNTGIYILDEGLQLKPEGIVGELYISGANVGRGYLHQPELTAEKFLDNPYQPGERMYRTGDLARWLPDGQLEFLGRIDHQVKIRGHRIELGEIESRLLNHPAIKEAVVIDRADETGGKFLCAYVVLQKALSDEEMRAYLAQALPEYMIPSFFVTLERIPVTPNGKTDRRALPKPEGSAKTKADYVAPTTELEQKLVAIWEQILGVSPIGIQDHFFTLGGHSLKAIQLISRIQKECQADVPLRVLFEQPTIQALAAYVELEHHHHHH
Non polymer #3 A1AN1

InChI=1S/C39H63N7O16P2/c1-24-28-8-6-7-27(62-37(53)44-20-18-40-30(47)15-16-42-35(51)33(49)38(2,3)22-60-63(54,55)56)13-14-29(28)32(46-45-24)26-11-9-25(10-12-26)21-31(48)41-17-19-43-36(52)34(50)39(4,5)23-61-64(57,58)59/h9-12,27-28,33-34,46,49-50H,6-8,13-23H2,1-5H3,(H,40,47)(H,41,48)(H,42,51)(H,43,52)(H,44,53)(H2,54,55,56)(H2,57,58,59)/t27-,28-,33-,34-/m0/s1

CC1=NNC(=C2[C@H]1CCC[C@@H](CC2)OC(=O)NCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O)c3ccc(cc3)CC(=O)NCCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
Non polymer #4 PR8

InChI=1S/C15H21N6O8P/c16-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(28-14)4-27-30(25,26)29-15(24)7-2-1-3-17-7/h5-8,10-11,14,17,22-23H,1-4H2,(H,25,26)(H2,16,18,19)/t7-,8+,10+,11+,14+/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)OC(=O)[C@@H]4CCCN4)O)O)N
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Reference