2025-06-07_00000001
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ligand
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7HCC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000296;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A41
InChI=1S/C11H10N4O2S2/c12-9-13-14-10(19-9)18-6-5-15-7-3-1-2-4-8(7)17-11(15)16/h1-4H,5-6H2,(H2,12,13)
InChI=1S/C11H10N4O2S2/c12-9-13-14-10(19-9)18-6-5-15-7-3-1-2-4-8(7)17-11(15)16/h1-4H,5-6H2,(H2,12,13)
SMILES: c1ccc2c(c1)N(C(=O)O2)CCSc3nnc(s3)N
c1ccc2c(c1)N(C(=O)O2)CCSc3nnc(s3)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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