2026-10-31_00000107
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ligand
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15DR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004203;
X-ray diffraction 1.04Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DT5
InChI=1S/C13H12N6OS/c20-11-2-1-5-19(11)18-13-8-6-9(10-3-4-16-21-10)17-12(8)14-7-15-13/h3-4,6-7H,1-2,5H2,(H2,14,15,17,18)
InChI=1S/C13H12N6OS/c20-11-2-1-5-19(11)18-13-8-6-9(10-3-4-16-21-10)17-12(8)14-7-15-13/h3-4,6-7H,1-2,5H2,(H2,14,15,17,18)
SMILES: c1cnsc1c2cc3c([nH]2)ncnc3NN4CCCC4=O
c1cnsc1c2cc3c([nH]2)ncnc3NN4CCCC4=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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