2026-10-31_00000063
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ligand
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15BZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001497;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYB
InChI=1S/C13H12N4O2S/c18-20(19,8-10-4-2-1-3-5-10)17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H2,14,15,16,17)
InChI=1S/C13H12N4O2S/c18-20(19,8-10-4-2-1-3-5-10)17-13-11-6-7-14-12(11)15-9-16-13/h1-7,9H,8H2,(H2,14,15,16,17)
SMILES: c1ccc(cc1)CS(=O)(=O)Nc2c3cc[nH]c3ncn2
c1ccc(cc1)CS(=O)(=O)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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