2026-10-31_00000474|ligand|15RV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005791; X-ray diffraction 0.97Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PRK

InChI=1S/C16H24N4O/c1-16(21,9-12-5-3-2-4-6-12)10-18-15-13-7-8-17-14(13)19-11-20-15/h7-8,11-12,21H,2-6,9-10H2,1H3,(H2,17,18,19,20)/t16-/m0/s1

C[C@](CC1CCCCC1)(CNc2c3cc[nH]c3ncn2)O
Non polymer #3 CL

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

[Cl-]
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Reference