2026-10-31_00000467|ligand|15RO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005639; X-ray diffraction 0.92Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRF

InChI=1S/C16H18F2N4O3/c17-16(18)4-1-9(2-5-16)11(7-12(23)24)22-15(25)13-10-3-6-19-14(10)21-8-20-13/h3,6,8-9,11H,1-2,4-5,7H2,(H,22,25)(H,23,24)(H,19,20,21)/t11-/m1/s1

c1c[nH]c2c1c(ncn2)C(=O)N[C@H](CC(=O)O)C3CCC(CC3)(F)F
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
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Reference