2026-10-31_00000095|ligand|15DF

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006023; X-ray diffraction 0.99Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1PSQ

InChI=1S/C15H14FN5O/c1-21-5-4-10(15(21)22)19-13-12-9-3-2-8(16)6-11(9)20-14(12)18-7-17-13/h2-3,6-7,10H,4-5H2,1H3,(H2,17,18,19,20)/t10-/m0/s1

CN1CC[C@@H](C1=O)Nc2c3c4ccc(cc4[nH]c3ncn2)F
Non polymer #3 CL

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

[Cl-]
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Reference