2025-03-15_00000005
|
ligand
|
8QG5
Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a di-adenosine derivative;
X-ray diffraction 2.63Å
Protein #1
272 residues (96% resolved)
Raw Sequence ...
MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIGKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIEDLEHHHHHH
Canonical Sequence ...
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)
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)
SMILES: C(C(=O)O)C(CC(=O)O)(C(=O)O)O
C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Non polymer #3
UY6
InChI=1S/C26H27N11O3/c1-35(11-16-20(38)21(39)26(40-16)37-14-33-18-22(27)29-12-31-24(18)37)9-5-8-17-34-19-23(28)30-13-32-25(19)36(17)10-15-6-3-2-4-7-15/h2-4,6-7,12-14,16,20-21,26,38-39H,9-11H2,1H3,(H2,27,29,31)(H2,28,30,32)/t16-,20-,21-,26-/m1/s1
InChI=1S/C26H27N11O3/c1-35(11-16-20(38)21(39)26(40-16)37-14-33-18-22(27)29-12-31-24(18)37)9-5-8-17-34-19-23(28)30-13-32-25(19)36(17)10-15-6-3-2-4-7-15/h2-4,6-7,12-14,16,20-21,26,38-39H,9-11H2,1H3,(H2,27,29,31)(H2,28,30,32)/t16-,20-,21-,26-/m1/s1
SMILES: CN(CC#Cc1nc2c(ncnc2n1Cc3ccccc3)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O
CN(CC#Cc1nc2c(ncnc2n1Cc3ccccc3)N)C[C@@H]4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)O
Biounit #1
homo-tetramer
Download coordinates
Tube
Model
Reference
100%