2026-10-31_00000364|ligand|15NP

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005133; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DWS

InChI=1S/C13H16N4O3S/c18-13(11-10-4-5-14-12(10)17-8-16-11)15-7-9-3-1-2-6-21(9,19)20/h4-5,8-9H,1-3,6-7H2,(H,15,18)(H,14,16,17)/t9-/m0/s1

c1c[nH]c2c1c(ncn2)C(=O)NC[C@@H]3CCCCS3(=O)=O
Non polymer #3 CL

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

[Cl-]
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Reference