2026-10-31_00000140|ligand|15EY

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005779; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DVB

InChI=1S/C12H10N6O/c19-12(16-6-8-5-13-3-4-14-8)10-9-1-2-15-11(9)18-7-17-10/h1-5,7H,6H2,(H,16,19)(H,15,17,18)

c1c[nH]c2c1c(ncn2)C(=O)NCc3cnccn3
Non polymer #3 CL

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

[Cl-]
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Reference