2025-06-07_00000119
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ligand
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7HFM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004320;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BBN
InChI=1S/C15H20N4O/c20-15(7-10-1-3-11(15)4-2-10)8-17-14-12-5-6-16-13(12)18-9-19-14/h5-6,9-11,20H,1-4,7-8H2,(H2,16,17,18,19)/t10-,11+,15-/m0/s1
InChI=1S/C15H20N4O/c20-15(7-10-1-3-11(15)4-2-10)8-17-14-12-5-6-16-13(12)18-9-19-14/h5-6,9-11,20H,1-4,7-8H2,(H2,16,17,18,19)/t10-,11+,15-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)NC[C@]3(CC4CCC3CC4)O
c1c[nH]c2c1c(ncn2)NC[C@]3(CC4CCC3CC4)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%