2026-10-31_00000146
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ligand
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15FE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005769;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DWU
InChI=1S/C16H16N4O/c21-14-4-2-1-3-12(14)11-6-8-20(9-11)16-13-5-7-17-15(13)18-10-19-16/h1-5,7,10-11,21H,6,8-9H2,(H,17,18,19)/t11-/m1/s1
InChI=1S/C16H16N4O/c21-14-4-2-1-3-12(14)11-6-8-20(9-11)16-13-5-7-17-15(13)18-10-19-16/h1-5,7,10-11,21H,6,8-9H2,(H,17,18,19)/t11-/m1/s1
SMILES: c1ccc(c(c1)[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3)O
c1ccc(c(c1)[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%