2026-10-31_00000392
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ligand
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15OR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005666;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4A
InChI=1S/C14H18N4O/c1-3-14(4-8-19-9-5-14)18(7-1)13-11-2-6-15-12(11)16-10-17-13/h2,6,10H,1,3-5,7-9H2,(H,15,16,17)
InChI=1S/C14H18N4O/c1-3-14(4-8-19-9-5-14)18(7-1)13-11-2-6-15-12(11)16-10-17-13/h2,6,10H,1,3-5,7-9H2,(H,15,16,17)
SMILES: c1c[nH]c2c1c(ncn2)N3CCCC34CCOCC4
c1c[nH]c2c1c(ncn2)N3CCCC34CCOCC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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