2026-10-31_00000056
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ligand
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15BS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000686;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4N
InChI=1S/C17H17N5O/c1-11-9-13-16(20-11)18-10-19-17(13)21-22-14(7-8-15(22)23)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3,(H2,18,19,20,21)/t14-/m0/s1
InChI=1S/C17H17N5O/c1-11-9-13-16(20-11)18-10-19-17(13)21-22-14(7-8-15(22)23)12-5-3-2-4-6-12/h2-6,9-10,14H,7-8H2,1H3,(H2,18,19,20,21)/t14-/m0/s1
SMILES: Cc1cc2c([nH]1)ncnc2NN3[C@@H](CCC3=O)c4ccccc4
Cc1cc2c([nH]1)ncnc2NN3[C@@H](CCC3=O)c4ccccc4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%