2026-10-31_00000404|ligand|15PD

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004724; X-ray diffraction 1.04Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4F

InChI=1S/C15H22N4O/c1-11-8-16-13-12(11)14(18-10-17-13)19(2)9-15(20)6-4-3-5-7-15/h8,10,20H,3-7,9H2,1-2H3,(H,16,17,18)

Cc1c[nH]c2c1c(ncn2)N(C)CC3(CCCCC3)O
Non polymer #3 CL

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

[Cl-]
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Reference