2026-10-31_00000434
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ligand
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15QH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005820;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP9
InChI=1S/C13H12N6O/c20-13(15-4-1-9-2-6-18-19-7-9)11-10-3-5-14-12(10)17-8-16-11/h2-3,5-8H,1,4H2,(H,15,20)(H,14,16,17)
InChI=1S/C13H12N6O/c20-13(15-4-1-9-2-6-18-19-7-9)11-10-3-5-14-12(10)17-8-16-11/h2-3,5-8H,1,4H2,(H,15,20)(H,14,16,17)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCCc3ccnnc3
c1c[nH]c2c1c(ncn2)C(=O)NCCc3ccnnc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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