2025-06-07_00000015
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ligand
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7HCQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000345;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A50
InChI=1S/C15H15N3O2S2/c1-10-4-3-5-11-8-14(21-15(10)11)22(19,20)18-12-6-7-13(16-2)17-9-12/h3-9,18H,1-2H3,(H,16,17)
InChI=1S/C15H15N3O2S2/c1-10-4-3-5-11-8-14(21-15(10)11)22(19,20)18-12-6-7-13(16-2)17-9-12/h3-9,18H,1-2H3,(H,16,17)
SMILES: Cc1cccc2c1sc(c2)S(=O)(=O)Nc3ccc(nc3)NC
Cc1cccc2c1sc(c2)S(=O)(=O)Nc3ccc(nc3)NC
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%