2026-10-31_00000234
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ligand
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15IP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005032;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUR
InChI=1S/C11H9N5O2/c17-11(13-5-7-2-4-18-16-7)9-8-1-3-12-10(8)15-6-14-9/h1-4,6H,5H2,(H,13,17)(H,12,14,15)
InChI=1S/C11H9N5O2/c17-11(13-5-7-2-4-18-16-7)9-8-1-3-12-10(8)15-6-14-9/h1-4,6H,5H2,(H,13,17)(H,12,14,15)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCc3ccon3
c1c[nH]c2c1c(ncn2)C(=O)NCc3ccon3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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