2026-10-31_00000465
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ligand
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15RM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005619;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRC
InChI=1S/C13H17N3O4S/c1-21(19,20)11-6-7-16(8-11)12(17)9-2-4-10(5-3-9)15-13(14)18/h2-5,11H,6-8H2,1H3,(H3,14,15,18)/t11-/m0/s1
InChI=1S/C13H17N3O4S/c1-21(19,20)11-6-7-16(8-11)12(17)9-2-4-10(5-3-9)15-13(14)18/h2-5,11H,6-8H2,1H3,(H3,14,15,18)/t11-/m0/s1
SMILES: CS(=O)(=O)[C@H]1CCN(C1)C(=O)c2ccc(cc2)NC(=O)N
CS(=O)(=O)[C@H]1CCN(C1)C(=O)c2ccc(cc2)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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