2026-10-31_00000297
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ligand
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15LA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005227;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYE
InChI=1S/C11H13N3O3/c12-11(17)13-8-3-1-7(2-4-8)10(16)14-5-9(15)6-14/h1-4,9,15H,5-6H2,(H3,12,13,17)
InChI=1S/C11H13N3O3/c12-11(17)13-8-3-1-7(2-4-8)10(16)14-5-9(15)6-14/h1-4,9,15H,5-6H2,(H3,12,13,17)
SMILES: c1cc(ccc1C(=O)N2CC(C2)O)NC(=O)N
c1cc(ccc1C(=O)N2CC(C2)O)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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