2026-01-24_00000010|ligand|13RR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004678; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1CX0

InChI=1S/C17H19FN4O/c1-10(2)15(8-23)22-17-12-7-14(21-16(12)19-9-20-17)11-5-3-4-6-13(11)18/h3-7,9-10,15,23H,8H2,1-2H3,(H2,19,20,21,22)/t15-/m0/s1

CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccccc3F
Non polymer #3 CL

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

[Cl-]
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Reference