2025-03-15_00000008|ligand|8QG8

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 UQF

InChI=1S/C27H36N14O7/c28-21-15-23(35-9-33-21)40(11-37-15)25-19(45)17(43)12(47-25)7-39(6-2-4-32-27(30)31)5-1-3-14-38-16-22(29)34-10-36-24(16)41(14)26-20(46)18(44)13(8-42)48-26/h9-13,17-20,25-26,42-46H,2,4-8H2,(H2,28,33,35)(H2,29,34,36)(H4,30,31,32)/t12-,13?,17+,18+,19+,20+,25-,26-/m0/s1

[H]/N=C(/N)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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