2026-10-31_00000233|ligand|15IO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005028; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DUX

InChI=1S/C15H14N4O2/c20-8-11-3-1-10(2-4-11)7-17-15(21)13-12-5-6-16-14(12)19-9-18-13/h1-6,9,20H,7-8H2,(H,17,21)(H,16,18,19)

c1cc(ccc1CNC(=O)c2c3cc[nH]c3ncn2)CO
Non polymer #3 CL

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

[Cl-]
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Reference