2026-10-31_00000071
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ligand
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15CH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003363;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4T
InChI=1S/C12H15N7O2/c20-5-4-18-10(7-15-17-18)9-6-13-8-14-12(9)16-19-3-1-2-11(19)21/h6-8,20H,1-5H2,(H,13,14,16)
InChI=1S/C12H15N7O2/c20-5-4-18-10(7-15-17-18)9-6-13-8-14-12(9)16-19-3-1-2-11(19)21/h6-8,20H,1-5H2,(H,13,14,16)
SMILES: c1c(c(ncn1)NN2CCCC2=O)c3cnnn3CCO
c1c(c(ncn1)NN2CCCC2=O)c3cnnn3CCO
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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