2026-10-31_00000024
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ligand
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15AM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000662;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTR
InChI=1S/C11H10N6O/c12-4-7-5-13-10-9(7)11(15-6-14-10)16-17-3-1-2-8(17)18/h5-6H,1-3H2,(H2,13,14,15,16)
InChI=1S/C11H10N6O/c12-4-7-5-13-10-9(7)11(15-6-14-10)16-17-3-1-2-8(17)18/h5-6H,1-3H2,(H2,13,14,15,16)
SMILES: c1c(c2c([nH]1)ncnc2NN3CCCC3=O)C#N
c1c(c2c([nH]1)ncnc2NN3CCCC3=O)C#N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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