2026-10-31_00000220
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ligand
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15IB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005012;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D07
InChI=1S/C12H15FN4/c13-6-9-2-1-5-17(7-9)12-10-3-4-14-11(10)15-8-16-12/h3-4,8-9H,1-2,5-7H2,(H,14,15,16)/t9-/m1/s1
InChI=1S/C12H15FN4/c13-6-9-2-1-5-17(7-9)12-10-3-4-14-11(10)15-8-16-12/h3-4,8-9H,1-2,5-7H2,(H,14,15,16)/t9-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)CF
c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)CF
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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