2025-08-02_00000285|medium|9PMN

Crystal structure of Capsular polysaccharide biosynthesis protein from Bordetella pertussis in complex with NAD and uridine-diphosphate-n-acetylgalactosamine; X-ray diffraction 2.40Å
Protein #1 348 residues (98% resolved)

MAHHHHHHTNRFETTCAQLRAQPQKWLVTGCAGFIGSNLLETLLGLDQAVVGLDNFATGHQHNLDEVRAAVTPEQWARFTFIEGDIRDLAACQRAVQGVDRVLHQAALGSVPRSLKDPITTNEVNIGGFLNMLVAARDAQVQAFVYAASSSTYGDHPDLPKVEERIGNPLSPYAVTKYVNELYADVFARSYGFSSVGLRYFNVFGKRQDPDGAYAAVIPKWTAAMIKGEDVVINGDGQTSRDFCFVENAVQANLLAAMAAPEGANQVYNVAYNARTTLTELFEHLRRTLAGQGVSYEKAPVYAEFRAGDVRHSQADIGKAGKLLGYEPAYDILRGLEAAMPWYTQFLR

MAHHHHHHTNRFETTCAQLRAQPQKWLVTGCAGFIGSNLLETLLGLDQAVVGLDNFATGHQHNLDEVRAAVTPEQWARFTFIEGDIRDLAACQRAVQGVDRVLHQAALGSVPRSLKDPITTNEVNIGGFLNMLVAARDAQVQAFVYAASSSTYGDHPDLPKVEERIGNPLSPYAVTKYVNELYADVFARSYGFSSVGLRYFNVFGKRQDPDGAYAAVIPKWTAAMIKGEDVVINGDGQTSRDFCFVENAVQANLLAAMAAPEGANQVYNVAYNARTTLTELFEHLRRTLAGQGVSYEKAPVYAEFRAGDVRHSQADIGKAGKLLGYEPAYDILRGLEAAMPWYTQFLR
Non polymer #2 ACT

InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1

CC(=O)[O-]
Non polymer #3 CL

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

[Cl-]
Non polymer #4 NAD

InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1

c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O)C(=O)N
Non polymer #5 UD2

InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11+,12-,13-,14-,15-,16-/m1/s1

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)O
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Reference