2026-10-31_00000195|ligand|15HC

PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004906; X-ray diffraction 1.00Å
Protein #1 169 residues (100% resolved)

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2 A1DVA

InChI=1S/C13H10FN5O/c14-9-2-1-4-15-10(9)6-17-13(20)11-8-3-5-16-12(8)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,16,18,19)

c1cc(c(nc1)CNC(=O)c2c3cc[nH]c3ncn2)F
Non polymer #3 CL

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

[Cl-]
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Reference