2026-10-31_00000144|ligand|15FC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004687; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DX1

InChI=1S/C16H17N5OS/c1-9(2)14(5-22)21-16-11-3-13(20-15(11)18-8-19-16)12-7-23-6-10(12)4-17/h3,6-9,14,22H,5H2,1-2H3,(H2,18,19,20,21)/t14-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cscc3C#N
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Reference