2026-10-31_00000477|ligand|15RY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005797; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRN

InChI=1S/C11H16N4O2/c1-11(16,6-17-2)5-13-10-8-3-4-12-9(8)14-7-15-10/h3-4,7,16H,5-6H2,1-2H3,(H2,12,13,14,15)/t11-/m1/s1

C[C@@](CNc1c2cc[nH]c2ncn1)(COC)O
Non polymer #3 CL

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

[Cl-]
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Reference