2024-07-27_00000050|ligand|8PWK

human HINT1 in complex with compound AT8003; X-ray diffraction 2.10Å
Protein #1 126 residues (91% resolved)

MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG

MADEIAKAQVARPGGDTIFGKIIRKEIPAKIIFEDDRCLAFHDISPQAPTHFLVIPKKHISQISVAEDDDESLLGHLMIVGKKCAADLGLNKGYRMVVNEGSDGGQSVYHVHLHVLGGRQMHWPPG
Non polymer #2 I0H

InChI=1S/C12H18FN6O6P/c1-12(13)7(20)5(3-24-26(21,22)23)25-10(12)19-4-16-6-8(15-2)17-11(14)18-9(6)19/h4-5,7,10,20H,3H2,1-2H3,(H2,21,22,23)(H3,14,15,17,18)/t5-,7-,10-,12-/m1/s1

C[C@]1([C@@H]([C@H](O[C@H]1n2cnc3c2nc(nc3NC)N)COP(=O)(O)O)O)F
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
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Reference