2025-08-16_00000007
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ligand
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7HHS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000411;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A7O
InChI=1S/C15H15N7O/c23-15-2-1-5-22(15)21-14-7-13(16-9-17-14)19-11-3-4-12-10(6-11)8-18-20-12/h3-4,6-9H,1-2,5H2,(H,18,20)(H2,16,17,19,21)
InChI=1S/C15H15N7O/c23-15-2-1-5-22(15)21-14-7-13(16-9-17-14)19-11-3-4-12-10(6-11)8-18-20-12/h3-4,6-9H,1-2,5H2,(H,18,20)(H2,16,17,19,21)
SMILES: c1cc2c(cc1Nc3cc(ncn3)NN4CCCC4=O)cn[nH]2
c1cc2c(cc1Nc3cc(ncn3)NN4CCCC4=O)cn[nH]2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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