2026-10-31_00000239
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ligand
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15IU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005049;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSN
InChI=1S/C13H15NO6S/c15-13(16)9-3-2-6-14(9)21(17,18)11-5-1-4-10-12(11)20-8-7-19-10/h1,4-5,9H,2-3,6-8H2,(H,15,16)/t9-/m0/s1
InChI=1S/C13H15NO6S/c15-13(16)9-3-2-6-14(9)21(17,18)11-5-1-4-10-12(11)20-8-7-19-10/h1,4-5,9H,2-3,6-8H2,(H,15,16)/t9-/m0/s1
SMILES: c1cc2c(c(c1)S(=O)(=O)N3CCC[C@H]3C(=O)O)OCCO2
c1cc2c(c(c1)S(=O)(=O)N3CCC[C@H]3C(=O)O)OCCO2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%