2026-10-31_00000029|ligand|15AR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000671; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PR4

InChI=1S/C11H12ClN5O/c1-6-2-3-8(18)17(6)16-10-7-4-5-13-9(7)14-11(12)15-10/h4-6H,2-3H2,1H3,(H2,13,14,15,16)/t6-/m0/s1

C[C@H]1CCC(=O)N1Nc2c3cc[nH]c3nc(n2)Cl
Non polymer #3 CL

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

[Cl-]
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Reference