2026-10-31_00000147
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ligand
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15FF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005770;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DW0
InChI=1S/C15H15N5/c1-5-16-6-2-11(1)12-4-8-20(9-12)15-13-3-7-17-14(13)18-10-19-15/h1-3,5-7,10,12H,4,8-9H2,(H,17,18,19)/t12-/m0/s1
InChI=1S/C15H15N5/c1-5-16-6-2-11(1)12-4-8-20(9-12)15-13-3-7-17-14(13)18-10-19-15/h1-3,5-7,10,12H,4,8-9H2,(H,17,18,19)/t12-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)c4ccncc4
c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)c4ccncc4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%