2025-03-15_00000004|ligand|8QG4

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative; X-ray diffraction 1.69Å
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 UZ6

InChI=1S/C29H40N14O7/c1-2-33-29(48)34-9-14-19(44)22(47)28(49-14)43-16(40-18-24(32)36-12-38-26(18)43)5-3-7-41(8-4-6-30)10-15-20(45)21(46)27(50-15)42-13-39-17-23(31)35-11-37-25(17)42/h11-15,19-22,27-28,44-47H,2,4,6-10,30H2,1H3,(H2,31,35,37)(H2,32,36,38)(H2,33,34,48)/t14-,15-,19-,20-,21-,22-,27-,28-/m1/s1

CCNC(=O)NC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c(nc3c2ncnc3N)C#CCN(CCCN)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O)O)O
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Reference