2026-10-31_00000216|ligand|15HX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004971; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D2T

InChI=1S/C19H22N4O2S/c1-26(24,25)16-6-2-4-14(11-16)10-15-5-3-9-23(12-15)19-17-7-8-20-18(17)21-13-22-19/h2,4,6-8,11,13,15H,3,5,9-10,12H2,1H3,(H,20,21,22)/t15-/m1/s1

CS(=O)(=O)c1cccc(c1)C[C@H]2CCCN(C2)c3c4cc[nH]c4ncn3
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Reference