2026-10-31_00000081|ligand|15CR

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003612; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DS3

InChI=1S/C11H11F3N4O/c1-18(6-19)9(11(12,13)14)4-8-7-2-3-15-10(7)17-5-16-8/h2-3,5-6,9H,4H2,1H3,(H,15,16,17)/t9-/m1/s1

CN(C=O)[C@H](Cc1c2cc[nH]c2ncn1)C(F)(F)F
Non polymer #3 CL

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

[Cl-]
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Reference