2026-10-31_00000102|ligand|15DM

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006022; X-ray diffraction 1.01Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSR

InChI=1S/C15H14FN5O/c1-15(4-5-17-14(15)22)21-13-11-9-3-2-8(16)6-10(9)20-12(11)18-7-19-13/h2-3,6-7H,4-5H2,1H3,(H,17,22)(H2,18,19,20,21)/t15-/m0/s1

C[C@@]1(CCNC1=O)Nc2c3c4ccc(cc4[nH]c3ncn2)F
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Reference