2026-10-31_00000129
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ligand
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15EN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006025;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DWI
InChI=1S/C17H14BrN3O3/c18-11-3-1-10(2-4-11)14(9-15(22)23)21-17(24)16-12-5-7-19-13(12)6-8-20-16/h1-8,14,19H,9H2,(H,21,24)(H,22,23)/t14-/m0/s1
InChI=1S/C17H14BrN3O3/c18-11-3-1-10(2-4-11)14(9-15(22)23)21-17(24)16-12-5-7-19-13(12)6-8-20-16/h1-8,14,19H,9H2,(H,21,24)(H,22,23)/t14-/m0/s1
SMILES: c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ccn2)Br
c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ccn2)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%