2025-06-07_00000131|ligand|7HFY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006217; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1BCD

InChI=1S/C13H18N4O/c18-13(5-2-1-3-6-13)8-15-12-10-4-7-14-11(10)16-9-17-12/h4,7,9,18H,1-3,5-6,8H2,(H2,14,15,16,17)

c1c[nH]c2c1c(ncn2)NCC3(CCCCC3)O
Non polymer #3 CL

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

[Cl-]
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Reference