2026-10-31_00000153
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ligand
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15FL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004797;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0B
InChI=1S/C15H13N5O2/c16-13(21)10-3-1-9(2-4-10)7-18-15(22)12-11-5-6-17-14(11)20-8-19-12/h1-6,8H,7H2,(H2,16,21)(H,18,22)(H,17,19,20)
InChI=1S/C15H13N5O2/c16-13(21)10-3-1-9(2-4-10)7-18-15(22)12-11-5-6-17-14(11)20-8-19-12/h1-6,8H,7H2,(H2,16,21)(H,18,22)(H,17,19,20)
SMILES: c1cc(ccc1CNC(=O)c2c3cc[nH]c3ncn2)C(=O)N
c1cc(ccc1CNC(=O)c2c3cc[nH]c3ncn2)C(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%