2026-10-31_00000254
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ligand
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15JJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005103;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2U
InChI=1S/C12H16N4O/c17-9-5-8(6-9)1-3-13-11-10-2-4-14-12(10)16-7-15-11/h2,4,7-9,17H,1,3,5-6H2,(H2,13,14,15,16)/t8-,9-
InChI=1S/C12H16N4O/c17-9-5-8(6-9)1-3-13-11-10-2-4-14-12(10)16-7-15-11/h2,4,7-9,17H,1,3,5-6H2,(H2,13,14,15,16)/t8-,9-
SMILES: c1c[nH]c2c1c(ncn2)NCCC3CC(C3)O
c1c[nH]c2c1c(ncn2)NCCC3CC(C3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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