2026-10-31_00000200
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ligand
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15HH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004916;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1H
InChI=1S/C15H17N5S/c1-2-11(8-13-16-5-7-21-13)9-20(6-1)15-12-3-4-17-14(12)18-10-19-15/h3-5,7,10-11H,1-2,6,8-9H2,(H,17,18,19)/t11-/m0/s1
InChI=1S/C15H17N5S/c1-2-11(8-13-16-5-7-21-13)9-20(6-1)15-12-3-4-17-14(12)18-10-19-15/h3-5,7,10-11H,1-2,6,8-9H2,(H,17,18,19)/t11-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)Cc4nccs4
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)Cc4nccs4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%