2026-10-31_00000082|ligand|15CS

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003620; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DSV

InChI=1S/C19H21N7O2/c27-14-7-3-9-26(14)25-18-15-11-4-1-5-12(16(11)24-17(15)21-10-22-18)23-19(28)13-6-2-8-20-13/h1,4-5,10,13,20H,2-3,6-9H2,(H,23,28)(H2,21,22,24,25)/t13-/m1/s1

c1cc2c3c([nH]c2c(c1)NC(=O)[C@H]4CCCN4)ncnc3NN5CCCC5=O
Non polymer #3 CL

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

[Cl-]
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Reference