2026-10-31_00000403|ligand|15PC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005700; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3V

InChI=1S/C12H20N4O/c1-8(2)10(6-17)16-12-5-11(13-7-14-12)15-9-3-4-9/h5,7-10,17H,3-4,6H2,1-2H3,(H2,13,14,15,16)/t10-/m0/s1

CC(C)[C@H](CO)Nc1cc(ncn1)NC2CC2
Non polymer #3 CL

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

[Cl-]
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Reference