2026-10-31_00000098|ligand|15DI

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004190; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRS

InChI=1S/C11H16N4O/c1-7(2)9(5-16)15-11-10-8(3-4-12-10)13-6-14-11/h3-4,6-7,9,12,16H,5H2,1-2H3,(H,13,14,15)/t9-/m0/s1

CC(C)[C@H](CO)Nc1c2c(cc[nH]2)ncn1
Non polymer #3 CL

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

[Cl-]
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Reference