2026-10-31_00000452
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ligand
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15QZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004705;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PSN
InChI=1S/C14H12N4O/c19-14(11-2-1-5-15-8-11)18-9-10-3-6-16-13-12(10)4-7-17-13/h1-8H,9H2,(H,16,17)(H,18,19)
InChI=1S/C14H12N4O/c19-14(11-2-1-5-15-8-11)18-9-10-3-6-16-13-12(10)4-7-17-13/h1-8H,9H2,(H,16,17)(H,18,19)
SMILES: c1cc(cnc1)C(=O)NCc2ccnc3c2cc[nH]3
c1cc(cnc1)C(=O)NCc2ccnc3c2cc[nH]3
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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