2026-10-31_00000382|ligand|15OH

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005500; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DUH

InChI=1S/C14H18N4O2S/c1-21(19,20)10-7-14(4-2-5-14)18(8-10)13-11-3-6-15-12(11)16-9-17-13/h3,6,9-10H,2,4-5,7-8H2,1H3,(H,15,16,17)/t10-/m1/s1

CS(=O)(=O)[C@@H]1CC2(CCC2)N(C1)c3c4cc[nH]c4ncn3
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference