2026-10-31_00000437|ligand|15QK

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005823; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQB

InChI=1S/C11H16N4O/c1-3-11(2,16)6-13-10-8-4-5-12-9(8)14-7-15-10/h4-5,7,16H,3,6H2,1-2H3,(H2,12,13,14,15)/t11-/m1/s1

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

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

[Cl-]
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Reference