2026-10-31_00000249
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ligand
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15JE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005096;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2C
InChI=1S/C12H14N4O2/c17-11(14-6-12(18)3-1-4-12)9-8-2-5-13-10(8)16-7-15-9/h2,5,7,18H,1,3-4,6H2,(H,14,17)(H,13,15,16)
InChI=1S/C12H14N4O2/c17-11(14-6-12(18)3-1-4-12)9-8-2-5-13-10(8)16-7-15-9/h2,5,7,18H,1,3-4,6H2,(H,14,17)(H,13,15,16)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCC3(CCC3)O
c1c[nH]c2c1c(ncn2)C(=O)NCC3(CCC3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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