2025-08-16_00000021|ligand|7HI6

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004099; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1A69

InChI=1S/C14H18N6O/c1-8(2)12(6-21)19-14-9-5-11(10-3-4-17-20-10)18-13(9)15-7-16-14/h3-5,7-8,12,21H,6H2,1-2H3,(H,17,20)(H2,15,16,18,19)/t12-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cc[nH]n3
Non polymer #3 CL

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

[Cl-]
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Reference