2026-10-31_00000295|ligand|15KY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005225; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3K

InChI=1S/C16H14N4O3/c21-16(14-11-3-4-17-15(11)20-9-19-14)18-8-10-1-2-12-13(7-10)23-6-5-22-12/h1-4,7,9H,5-6,8H2,(H,18,21)(H,17,19,20)

c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)OCCO2
Non polymer #3 CL

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

[Cl-]
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Reference