2026-10-31_00000238
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ligand
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15IT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005045;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSM
InChI=1S/C18H20N4O/c1-2-6-15(7-3-1)23-12-14-5-4-10-22(11-14)18-16-8-9-19-17(16)20-13-21-18/h1-3,6-9,13-14H,4-5,10-12H2,(H,19,20,21)/t14-/m1/s1
InChI=1S/C18H20N4O/c1-2-6-15(7-3-1)23-12-14-5-4-10-22(11-14)18-16-8-9-19-17(16)20-13-21-18/h1-3,6-9,13-14H,4-5,10-12H2,(H,19,20,21)/t14-/m1/s1
SMILES: c1ccc(cc1)OC[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3
c1ccc(cc1)OC[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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