2026-10-31_00000188|ligand|15GV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004894; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D0O

InChI=1S/C18H18N4O/c23-18(16-15-7-8-19-17(15)22-11-21-16)20-10-12-5-6-13-3-1-2-4-14(13)9-12/h5-9,11H,1-4,10H2,(H,20,23)(H,19,21,22)

c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)CCCC2
Non polymer #3 CL

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

[Cl-]
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Reference