2026-10-31_00000096
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ligand
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15DG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004112;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRQ
InChI=1S/C15H16ClN5O/c1-15(2)6-5-12(22)21(15)20-14-10(8-17-9-19-14)13-11(16)4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19,20)
InChI=1S/C15H16ClN5O/c1-15(2)6-5-12(22)21(15)20-14-10(8-17-9-19-14)13-11(16)4-3-7-18-13/h3-4,7-9H,5-6H2,1-2H3,(H,17,19,20)
SMILES: CC1(CCC(=O)N1Nc2c(cncn2)c3c(cccn3)Cl)C
CC1(CCC(=O)N1Nc2c(cncn2)c3c(cccn3)Cl)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%