2026-10-31_00000064
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ligand
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15CA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001496;
X-ray diffraction 1.04Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4O
InChI=1S/C10H11BrN4O/c1-2-6(16)3-12-9-8-7(11)4-13-10(8)15-5-14-9/h4-5H,2-3H2,1H3,(H2,12,13,14,15)
InChI=1S/C10H11BrN4O/c1-2-6(16)3-12-9-8-7(11)4-13-10(8)15-5-14-9/h4-5H,2-3H2,1H3,(H2,12,13,14,15)
SMILES: CCC(=O)CNc1c2c(c[nH]c2ncn1)Br
CCC(=O)CNc1c2c(c[nH]c2ncn1)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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