2026-10-31_00000351
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ligand
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15NC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005402;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D34
InChI=1S/C9H12N2O5S/c12-9(13)8-2-1-4-11(8)17(14,15)6-7-3-5-16-10-7/h3,5,8H,1-2,4,6H2,(H,12,13)/t8-/m0/s1
InChI=1S/C9H12N2O5S/c12-9(13)8-2-1-4-11(8)17(14,15)6-7-3-5-16-10-7/h3,5,8H,1-2,4,6H2,(H,12,13)/t8-/m0/s1
SMILES: c1conc1CS(=O)(=O)N2CCC[C@H]2C(=O)O
c1conc1CS(=O)(=O)N2CCC[C@H]2C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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