2026-10-31_00000341
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ligand
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15MS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005372;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3O
InChI=1S/C17H13F2NO5/c18-9-4-5-10(12(19)6-9)13(7-15(21)22)20-17(23)11-2-1-3-14-16(11)25-8-24-14/h1-6,13H,7-8H2,(H,20,23)(H,21,22)/t13-/m0/s1
InChI=1S/C17H13F2NO5/c18-9-4-5-10(12(19)6-9)13(7-15(21)22)20-17(23)11-2-1-3-14-16(11)25-8-24-14/h1-6,13H,7-8H2,(H,20,23)(H,21,22)/t13-/m0/s1
SMILES: c1cc(c2c(c1)OCO2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3F)F
c1cc(c2c(c1)OCO2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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