2026-10-31_00000471
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ligand
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15RS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005784;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRJ
InChI=1S/C16H18N4O/c1-16(2,21)13(11-6-4-3-5-7-11)20-15-12-8-9-17-14(12)18-10-19-15/h3-10,13,21H,1-2H3,(H2,17,18,19,20)/t13-/m1/s1
InChI=1S/C16H18N4O/c1-16(2,21)13(11-6-4-3-5-7-11)20-15-12-8-9-17-14(12)18-10-19-15/h3-10,13,21H,1-2H3,(H2,17,18,19,20)/t13-/m1/s1
SMILES: CC(C)([C@@H](c1ccccc1)Nc2c3cc[nH]c3ncn2)O
CC(C)([C@@H](c1ccccc1)Nc2c3cc[nH]c3ncn2)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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