2026-10-31_00000149
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ligand
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15FH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004790;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DW2
InChI=1S/C10H12N4O3S/c1-18(16,17)5-4-12-10(15)8-7-2-3-11-9(7)14-6-13-8/h2-3,6H,4-5H2,1H3,(H,12,15)(H,11,13,14)
InChI=1S/C10H12N4O3S/c1-18(16,17)5-4-12-10(15)8-7-2-3-11-9(7)14-6-13-8/h2-3,6H,4-5H2,1H3,(H,12,15)(H,11,13,14)
SMILES: CS(=O)(=O)CCNC(=O)c1c2cc[nH]c2ncn1
CS(=O)(=O)CCNC(=O)c1c2cc[nH]c2ncn1
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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