2025-04-26_00000258|ligand|9O8Y

Crystal structure of 2,3,4,5-tetrahydropyridine-2,6-dicarboxylate N-succinyltransferase (DapD) from Bordetella pertussis (succinyl-CoA bound); X-ray diffraction 1.45Å
Protein #1 278 residues (96% resolved)

MAHHHHHHTLDLQTTIEQAWENRANLSPVDASAEVRDAVEHTIDGLDLGRLRVAEKIDDQWIVHQWIKKAVLLSFRLHDNAVMGQGPLQFYDKVPTKFAGYGEAAFKAGGYRVVPPAVARRGAFIARNVVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVVVEENSVLAMGVFLSQSTKIYDRATGKVSYGRVPSGSVVVPGSLPSEDGSHSLACAVIVKRVDAQTRAKTSINDLL

MAHHHHHHTLDLQTTIEQAWENRANLSPVDASAEVRDAVEHTIDGLDLGRLRVAEKIDDQWIVHQWIKKAVLLSFRLHDNAVMGQGPLQFYDKVPTKFAGYGEAAFKAGGYRVVPPAVARRGAFIARNVVLMPSYVNIGAYVDEGTMVDTWATVGSCAQIGKNVHLSGGVGIGGVLEPLQANPTIIEDNCFIGARSEVVEGVVVEENSVLAMGVFLSQSTKIYDRATGKVSYGRVPSGSVVVPGSLPSEDGSHSLACAVIVKRVDAQTRAKTSINDLL
Non polymer #2 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #3 SCA

InChI=1S/C25H40N7O19P3S/c1-25(2,20(38)23(39)28-6-5-14(33)27-7-8-55-16(36)4-3-15(34)35)10-48-54(45,46)51-53(43,44)47-9-13-19(50-52(40,41)42)18(37)24(49-13)32-12-31-17-21(26)29-11-30-22(17)32/h11-13,18-20,24,37-38H,3-10H2,1-2H3,(H,27,33)(H,28,39)(H,34,35)(H,43,44)(H,45,46)(H2,26,29,30)(H2,40,41,42)/t13-,18-,19-,20+,24-/m1/s1

CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O)O
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Reference