2024-07-27_00000049|ligand|8PIE

Crystal structure of the human nucleoside diphosphate kinase B domain in complex with the product AT-8500 formed by catalysis of compound AT-9010; X-ray diffraction 1.90Å
Protein #1 171 residues (88% resolved)

MGSSHHHHHHSSGENLYFQGANLERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVAMKFLRASEEHLKQHYIDLKDRPFFPGLVKYMNSGPVVAMVWEGLNVVKTGRVMLGETNPADSKPGTIRGDFCIQVGRNII(HIP)GSDSVKSAEKEISLWFKPEELVDYKSCAHDWVYE

MGSSHHHHHHSSGENLYFQGANLERTFIAIKPDGVQRGLVGEIIKRFEQKGFRLVAMKFLRASEEHLKQHYIDLKDRPFFPGLVKYMNSGPVVAMVWEGLNVVKTGRVMLGETNPADSKPGTIRGDFCIQVGRNIIHGSDSVKSAEKEISLWFKPEELVDYKSCAHDWVYE
Non polymer #2 7QT

InChI=1S/C11H16FN5O10P2/c1-11(12)6(18)4(2-25-29(23,24)27-28(20,21)22)26-9(11)17-3-14-5-7(17)15-10(13)16-8(5)19/h3-4,6,9,18H,2H2,1H3,(H,23,24)(H2,20,21,22)(H3,13,15,16,19)/t4-,6-,9-,11-/m1/s1

C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O)F
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