2026-10-31_00000214|ligand|15HV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004962; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D3E

InChI=1S/C11H14N4O2/c1-2-8(16)6-12-11(17)9-4-3-5-10-13-7-14-15(9)10/h3-5,7-8,16H,2,6H2,1H3,(H,12,17)/t8-/m1/s1

CC[C@H](CNC(=O)c1cccc2n1ncn2)O
Non polymer #3 CL

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

[Cl-]
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Reference