2026-01-24_00000009|ligand|13RQ

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004683; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CXZ

InChI=1S/C16H17N5OS/c1-9(2)13(7-22)21-16-11-5-12(20-15(11)18-8-19-16)10-3-4-23-14(10)6-17/h3-5,8-9,13,22H,7H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccsc3C#N
Non polymer #3 CL

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

[Cl-]
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Reference