2026-10-31_00000163
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ligand
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15FV
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004820;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVJ
InChI=1S/C14H19N5O2S/c20-22(21)8-2-6-18(22)9-11-3-1-7-19(11)14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11H,1-3,6-9H2,(H,15,16,17)/t11-/m1/s1
InChI=1S/C14H19N5O2S/c20-22(21)8-2-6-18(22)9-11-3-1-7-19(11)14-12-4-5-15-13(12)16-10-17-14/h4-5,10-11H,1-3,6-9H2,(H,15,16,17)/t11-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3CN4CCCS4(=O)=O
c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3CN4CCCS4(=O)=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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