2025-03-15_00000010|ligand|8QGA

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative; X-ray diffraction 2.39Å
Protein #1 272 residues (95% 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 UV0

InChI=1S/C35H37N13O7/c1-46(13-21-26(50)27(51)33(55-21)47-16-43-23-29(36)39-14-41-31(23)47)11-5-10-22-45-24-30(37)40-15-42-32(24)48(22)34-28(52)25(49)20(54-34)12-38-35(53)44-19-9-4-7-17-6-2-3-8-18(17)19/h2-4,6-9,14-16,20-21,25-28,33-34,49-52H,11-13H2,1H3,(H2,36,39,41)(H2,37,40,42)(H2,38,44,53)/t20-,21-,25-,26-,27-,28-,33-,34-/m1/s1

CN(CC#Cc1nc2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CNC(=O)Nc4cccc5c4cccc5)O)O)N)C[C@@H]6[C@H]([C@H]([C@@H](O6)n7cnc8c7ncnc8N)O)O
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