2026-10-31_00000123
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ligand
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15EH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004334;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0L
InChI=1S/C15H18N4OS/c1-9(2)13(6-20)19-15-11-5-12(10-3-4-21-7-10)18-14(11)16-8-17-15/h3-5,7-9,13,20H,6H2,1-2H3,(H2,16,17,18,19)/t13-/m0/s1
InChI=1S/C15H18N4OS/c1-9(2)13(6-20)19-15-11-5-12(10-3-4-21-7-10)18-14(11)16-8-17-15/h3-5,7-9,13,20H,6H2,1-2H3,(H2,16,17,18,19)/t13-/m0/s1
SMILES: CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccsc3
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3ccsc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%