2026-10-31_00000291
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ligand
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15KU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005213;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSD
InChI=1S/C13H21N3O4S/c1-13(2,9-17)8-15-21(19,20)11-6-4-10(5-7-11)16-12(18)14-3/h4-7,15,17H,8-9H2,1-3H3,(H2,14,16,18)
InChI=1S/C13H21N3O4S/c1-13(2,9-17)8-15-21(19,20)11-6-4-10(5-7-11)16-12(18)14-3/h4-7,15,17H,8-9H2,1-3H3,(H2,14,16,18)
SMILES: CC(C)(CNS(=O)(=O)c1ccc(cc1)NC(=O)NC)CO
CC(C)(CNS(=O)(=O)c1ccc(cc1)NC(=O)NC)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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