2025-03-15_00000015|ligand|8QGH

Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative; X-ray diffraction 1.76Å
Protein #1 272 residues (97% 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 ULU

InChI=1S/C29H38N15O8/c30-24-18-26(36-11-34-24)43(13-38-18)28-22(49)20(47)14(51-28)9-42(8-2-5-33-17(46)4-6-39-41-32)7-1-3-16-40-19-25(31)35-12-37-27(19)44(16)29-23(50)21(48)15(10-45)52-29/h11-15,20-23,28-29,32,45,47-50H,2,4-10H2,(H,33,46)(H2,30,34,36)(H2,31,35,37)/t14-,15+,20+,21+,22+,23+,28-,29-/m0/s1

c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CN(CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O6)CO)O)O)N)O)O)N
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