2026-10-31_00000159
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ligand
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15FR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004809;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1S
InChI=1S/C13H16N4O2/c18-8-13(5-2-6-13)7-14-12(19)10-3-1-4-11-15-9-16-17(10)11/h1,3-4,9,18H,2,5-8H2,(H,14,19)
InChI=1S/C13H16N4O2/c18-8-13(5-2-6-13)7-14-12(19)10-3-1-4-11-15-9-16-17(10)11/h1,3-4,9,18H,2,5-8H2,(H,14,19)
SMILES: c1cc(n2c(c1)ncn2)C(=O)NCC3(CCC3)CO
c1cc(n2c(c1)ncn2)C(=O)NCC3(CCC3)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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