2026-10-31_00000436|ligand|15QJ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005822; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQA

InChI=1S/C14H20N4O/c1-18(9-14(19)6-3-2-4-7-14)13-11-5-8-15-12(11)16-10-17-13/h5,8,10,19H,2-4,6-7,9H2,1H3,(H,15,16,17)

CN(CC1(CCCCC1)O)c2c3cc[nH]c3ncn2
Non polymer #3 CL

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

[Cl-]
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Reference