2026-10-31_00000104
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ligand
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15DO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004116;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DWG
InChI=1S/C15H14N4O/c1-10-2-4-11(5-3-10)8-13(20)19-15-12-6-7-16-14(12)17-9-18-15/h2-7,9H,8H2,1H3,(H2,16,17,18,19,20)
InChI=1S/C15H14N4O/c1-10-2-4-11(5-3-10)8-13(20)19-15-12-6-7-16-14(12)17-9-18-15/h2-7,9H,8H2,1H3,(H2,16,17,18,19,20)
SMILES: Cc1ccc(cc1)CC(=O)Nc2c3cc[nH]c3ncn2
Cc1ccc(cc1)CC(=O)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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