2026-10-31_00000366|ligand|15NR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005157; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWR

InChI=1S/C12H18N4O/c1-3-8(2)10(6-17)16-12-9-4-5-13-11(9)14-7-15-12/h4-5,7-8,10,17H,3,6H2,1-2H3,(H2,13,14,15,16)/t8-,10+/m1/s1

CC[C@@H](C)[C@H](CO)Nc1c2cc[nH]c2ncn1
Non polymer #3 CL

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

[Cl-]
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Reference