2026-10-31_00000242
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ligand
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15IX
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005066;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D15
InChI=1S/C11H12N4O2/c16-7-3-6(4-7)15-11(17)9-8-1-2-12-10(8)14-5-13-9/h1-2,5-7,16H,3-4H2,(H,15,17)(H,12,13,14)/t6-,7+
InChI=1S/C11H12N4O2/c16-7-3-6(4-7)15-11(17)9-8-1-2-12-10(8)14-5-13-9/h1-2,5-7,16H,3-4H2,(H,15,17)(H,12,13,14)/t6-,7+
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NC3CC(C3)O
c1c[nH]c2c1c(ncn2)C(=O)NC3CC(C3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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