2026-10-31_00000219
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ligand
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15IA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005011;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1Y
InChI=1S/C15H12N4O3/c20-15(13-10-3-4-16-14(10)19-7-18-13)17-6-9-1-2-11-12(5-9)22-8-21-11/h1-5,7H,6,8H2,(H,17,20)(H,16,18,19)
InChI=1S/C15H12N4O3/c20-15(13-10-3-4-16-14(10)19-7-18-13)17-6-9-1-2-11-12(5-9)22-8-21-11/h1-5,7H,6,8H2,(H,17,20)(H,16,18,19)
SMILES: c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)OCO2
c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)OCO2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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