2024-10-05_00000167|ligand|9BFG

Structure of the crosslinked PCP-E didomain of tyrocidine synthetase A; X-ray diffraction 2.18Å
Protein #1 555 residues (96% resolved)

MVPDLTANQSQAAYHPPRTETESILVSIWQNVLGIEKIGIRDNFYSLGGDSIQAIQVVARLHSYQLKLETKDLLNYPTIEQVALFVKSTTRKSDQGIIAGNVPLTPIQKWFFGKNFTNTGHWNQSSVLYRPEGFDPKVIQSVMDKIIEHHDALRMVYQHENGNVVQHNRGLGGQLYDFFSYNLTAQPDVQQAIEAETQRLHSSMNLQEGPLVKVALFQTLHGDHLFLAIHHLVVDGISWRILFEDLATGYAQALAGQAISLPEKTDSFQSWSQWLQEYANEADLLSEIPYWESLESQAKNVSLPKDYEVTDCKQKSVRNMRIRLHPEETEQLLKHANQAYQTEINDLLLAALGLAFAEWSKLAQIVIHLAGHGREDIIEQANVARTVGWFTSQYPVLLDLKQTAPLSDYIKLTKENMRKIPRKGIGYDILKHVTLPENRGSLSFRVQPEVTFNYLGQFDADMRTELFTRSPYSGGNTLGADGKNNLSPESEVYTALNITGLIEGGELVLTFSYSSEQYREESIQQLSQSYQKHLLAIIAHCTEKKGSRSHHHHHH

MVPDLTANQSQAAYHPPRTETESILVSIWQNVLGIEKIGIRDNFYSLGGDSIQAIQVVARLHSYQLKLETKDLLNYPTIEQVALFVKSTTRKSDQGIIAGNVPLTPIQKWFFGKNFTNTGHWNQSSVLYRPEGFDPKVIQSVMDKIIEHHDALRMVYQHENGNVVQHNRGLGGQLYDFFSYNLTAQPDVQQAIEAETQRLHSSMNLQEGPLVKVALFQTLHGDHLFLAIHHLVVDGISWRILFEDLATGYAQALAGQAISLPEKTDSFQSWSQWLQEYANEADLLSEIPYWESLESQAKNVSLPKDYEVTDCKQKSVRNMRIRLHPEETEQLLKHANQAYQTEINDLLLAALGLAFAEWSKLAQIVIHLAGHGREDIIEQANVARTVGWFTSQYPVLLDLKQTAPLSDYIKLTKENMRKIPRKGIGYDILKHVTLPENRGSLSFRVQPEVTFNYLGQFDADMRTELFTRSPYSGGNTLGADGKNNLSPESEVYTALNITGLIEGGELVLTFSYSSEQYREESIQQLSQSYQKHLLAIIAHCTEKKGSRSHHHHHH
Non polymer #2 2GH

InChI=1S/C14H29N2O7P/c1-4-5-6-8-15-11(17)7-9-16-13(19)12(18)14(2,3)10-23-24(20,21)22/h12,18H,4-10H2,1-3H3,(H,15,17)(H,16,19)(H2,20,21,22)/t12-/m0/s1

CCCCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O)O
Non polymer #3 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
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Reference