2025-03-15_00000018|ligand|8QGK

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative; X-ray diffraction 2.29Å
Protein #1 272 residues (96% resolved)

MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIEDLEHHHHHH

MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIEDLEHHHHHH
Non polymer #2 CIT

InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Non polymer #3 UVI

InChI=1S/C28H36N12O8/c1-13(42)31-5-3-7-38(8-14-19(43)21(45)27(47-14)39-12-36-17-23(29)32-10-34-25(17)39)6-2-4-16-37-18-24(30)33-11-35-26(18)40(16)28-22(46)20(44)15(9-41)48-28/h10-12,14-15,19-22,27-28,41,43-46H,3,5-9H2,1H3,(H,31,42)(H2,29,32,34)(H2,30,33,35)/t14-,15-,19-,20-,21-,22-,27-,28-/m1/s1

CC(=O)NCCCN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O
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