2026-10-31_00000237
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ligand
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15IS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005042;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSL
InChI=1S/C17H17N5O/c23-17(15-13-7-8-18-16(13)21-10-20-15)19-9-12-6-5-11-3-1-2-4-14(11)22-12/h5-8,10H,1-4,9H2,(H,19,23)(H,18,20,21)
InChI=1S/C17H17N5O/c23-17(15-13-7-8-18-16(13)21-10-20-15)19-9-12-6-5-11-3-1-2-4-14(11)22-12/h5-8,10H,1-4,9H2,(H,19,23)(H,18,20,21)
SMILES: c1cc(nc2c1CCCC2)CNC(=O)c3c4cc[nH]c4ncn3
c1cc(nc2c1CCCC2)CNC(=O)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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