2025-06-07_00000029
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ligand
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7HD4
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003708;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A62
InChI=1S/C15H20N4O/c20-8-11-7-15(4-1-2-5-15)9-19(11)14-12-3-6-16-13(12)17-10-18-14/h3,6,10-11,20H,1-2,4-5,7-9H2,(H,16,17,18)/t11-/m0/s1
InChI=1S/C15H20N4O/c20-8-11-7-15(4-1-2-5-15)9-19(11)14-12-3-6-16-13(12)17-10-18-14/h3,6,10-11,20H,1-2,4-5,7-9H2,(H,16,17,18)/t11-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC4(CCCC4)C[C@H]3CO
c1c[nH]c2c1c(ncn2)N3CC4(CCCC4)C[C@H]3CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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