2026-10-31_00000443|ligand|15QQ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005835; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PQG

InChI=1S/C11H14N4O3/c1-11(17,10(16)18-2)5-13-9-7-3-4-12-8(7)14-6-15-9/h3-4,6,17H,5H2,1-2H3,(H2,12,13,14,15)/t11-/m1/s1

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

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

[Cl-]
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Reference