2026-10-31_00000191|ligand|15GY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004901; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D1B

InChI=1S/C12H14N4O2/c17-6-4-12(2-3-12)16-11(18)9-8-1-5-13-10(8)15-7-14-9/h1,5,7,17H,2-4,6H2,(H,16,18)(H,13,14,15)

c1c[nH]c2c1c(ncn2)C(=O)NC3(CC3)CCO
Non polymer #3 CL

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

[Cl-]
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Reference