2026-01-24_00000007|ligand|13RO

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004268; X-ray diffraction 0.95Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CXX

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

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3c[nH]nc3
Non polymer #3 CL

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

[Cl-]
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Reference