2026-10-31_00000462
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ligand
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15RJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005611;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ9
InChI=1S/C15H21N3O4/c1-15(2,8-12(19)20)9-17-13(21)10-4-6-11(7-5-10)18-14(22)16-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H,19,20)(H2,16,18,22)
InChI=1S/C15H21N3O4/c1-15(2,8-12(19)20)9-17-13(21)10-4-6-11(7-5-10)18-14(22)16-3/h4-7H,8-9H2,1-3H3,(H,17,21)(H,19,20)(H2,16,18,22)
SMILES: CC(C)(CC(=O)O)CNC(=O)c1ccc(cc1)NC(=O)NC
CC(C)(CC(=O)O)CNC(=O)c1ccc(cc1)NC(=O)NC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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