2026-10-31_00000124
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ligand
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15EI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004337;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PST
InChI=1S/C18H17BrN4O/c19-12-1-2-14-15(6-12)22-17-16(14)18(21-9-20-17)23-7-10-3-11(8-23)5-13(24)4-10/h1-2,6,9-11H,3-5,7-8H2,(H,20,21,22)/t10-,11+
InChI=1S/C18H17BrN4O/c19-12-1-2-14-15(6-12)22-17-16(14)18(21-9-20-17)23-7-10-3-11(8-23)5-13(24)4-10/h1-2,6,9-11H,3-5,7-8H2,(H,20,21,22)/t10-,11+
SMILES: c1cc2c(cc1Br)[nH]c3c2c(ncn3)N4C[C@@H]5C[C@H](C4)CC(=O)C5
c1cc2c(cc1Br)[nH]c3c2c(ncn3)N4C[C@@H]5C[C@H](C4)CC(=O)C5
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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