2026-10-31_00000083
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ligand
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15CT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003766;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DS4
InChI=1S/C15H17N7O3S/c1-16-26(24,25)21-10-5-2-4-9-12-14(19-13(9)10)17-8-18-15(12)20-22-7-3-6-11(22)23/h2,4-5,8,16,21H,3,6-7H2,1H3,(H2,17,18,19,20)
InChI=1S/C15H17N7O3S/c1-16-26(24,25)21-10-5-2-4-9-12-14(19-13(9)10)17-8-18-15(12)20-22-7-3-6-11(22)23/h2,4-5,8,16,21H,3,6-7H2,1H3,(H2,17,18,19,20)
SMILES: CNS(=O)(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O
CNS(=O)(=O)Nc1cccc2c1[nH]c3c2c(ncn3)NN4CCCC4=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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