2026-10-31_00000429|ligand|15QC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005812; X-ray diffraction 0.96Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSA

InChI=1S/C14H20N4O/c1-14(19,10-4-2-3-5-10)8-16-13-11-6-7-15-12(11)17-9-18-13/h6-7,9-10,19H,2-5,8H2,1H3,(H2,15,16,17,18)/t14-/m1/s1

C[C@@](CNc1c2cc[nH]c2ncn1)(C3CCCC3)O
Non polymer #3 CL

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

[Cl-]
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Reference