2026-10-31_00000110
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ligand
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15DU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004282;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4U
InChI=1S/C17H18N4OS/c22-23-8-11-5-12(9-23)7-21(6-11)17-15-13-3-1-2-4-14(13)20-16(15)18-10-19-17/h1-4,10-12H,5-9H2,(H,18,19,20)/t11-,12+,23+
InChI=1S/C17H18N4OS/c22-23-8-11-5-12(9-23)7-21(6-11)17-15-13-3-1-2-4-14(13)20-16(15)18-10-19-17/h1-4,10-12H,5-9H2,(H,18,19,20)/t11-,12+,23+
SMILES: c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@H]5C[C@@H](C4)CS(=O)C5
c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@H]5C[C@@H](C4)CS(=O)C5
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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