2026-10-31_00000292|ligand|15KV

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005214; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DR9

InChI=1S/C11H14N4O2/c16-9-5-17-4-7(9)3-13-11-8-1-2-12-10(8)14-6-15-11/h1-2,6-7,9,16H,3-5H2,(H2,12,13,14,15)/t7-,9+/m1/s1

c1c[nH]c2c1c(ncn2)NC[C@@H]3COC[C@@H]3O
Non polymer #3 CL

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

[Cl-]
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Reference