2026-10-31_00000252
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ligand
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15JH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004981;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2F
InChI=1S/C16H15N5O/c22-16(14-12-6-7-17-15(12)20-9-19-14)18-8-11-5-4-10-2-1-3-13(10)21-11/h4-7,9H,1-3,8H2,(H,18,22)(H,17,19,20)
InChI=1S/C16H15N5O/c22-16(14-12-6-7-17-15(12)20-9-19-14)18-8-11-5-4-10-2-1-3-13(10)21-11/h4-7,9H,1-3,8H2,(H,18,22)(H,17,19,20)
SMILES: c1cc(nc2c1CCC2)CNC(=O)c3c4cc[nH]c4ncn3
c1cc(nc2c1CCC2)CNC(=O)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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