2026-10-31_00000476|ligand|15RX

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005796; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRM

InChI=1S/C16H16N4O/c21-16(7-5-11-3-1-2-4-13(11)16)9-18-15-12-6-8-17-14(12)19-10-20-15/h1-4,6,8,10,21H,5,7,9H2,(H2,17,18,19,20)/t16-/m1/s1

c1ccc2c(c1)CC[C@]2(CNc3c4cc[nH]c4ncn3)O
Non polymer #3 CL

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

[Cl-]
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Reference