2026-10-31_00000162
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ligand
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15FU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004819;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVI
InChI=1S/C18H18N4O/c23-16(13-5-2-1-3-6-13)11-14-7-4-10-22(14)18-15-8-9-19-17(15)20-12-21-18/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,19,20,21)/t14-/m1/s1
InChI=1S/C18H18N4O/c23-16(13-5-2-1-3-6-13)11-14-7-4-10-22(14)18-15-8-9-19-17(15)20-12-21-18/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,19,20,21)/t14-/m1/s1
SMILES: c1ccc(cc1)C(=O)C[C@H]2CCCN2c3c4cc[nH]c4ncn3
c1ccc(cc1)C(=O)C[C@H]2CCCN2c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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