2026-10-31_00000394|ligand|15OT

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005671; X-ray diffraction 1.02Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1D4C

InChI=1S/C15H15N5O/c1-2-6-16-13(3-1)21-11-5-8-20(9-11)15-12-4-7-17-14(12)18-10-19-15/h1-4,6-7,10-11H,5,8-9H2,(H,17,18,19)/t11-/m0/s1

c1ccnc(c1)O[C@H]2CCN(C2)c3c4cc[nH]c4ncn3
Non polymer #3 CL

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

[Cl-]
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Reference