2026-10-31_00000415|ligand|15PO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005562; X-ray diffraction 0.96Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PTS

InChI=1S/C11H12N4O3S/c16-11(13-5-7-2-4-19(7,17)18)9-8-1-3-12-10(8)15-6-14-9/h1,3,6-7H,2,4-5H2,(H,13,16)(H,12,14,15)/t7-/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)NC[C@H]3CCS3(=O)=O
Non polymer #3 CL

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

[Cl-]
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Reference