2026-10-31_00000416
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ligand
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15PP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005565;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP0
InChI=1S/C13H16BrN3O2/c14-10-5-7-17(8-6-10)12(18)9-1-3-11(4-2-9)16-13(15)19/h1-4,10H,5-8H2,(H3,15,16,19)
InChI=1S/C13H16BrN3O2/c14-10-5-7-17(8-6-10)12(18)9-1-3-11(4-2-9)16-13(15)19/h1-4,10H,5-8H2,(H3,15,16,19)
SMILES: c1cc(ccc1C(=O)N2CCC(CC2)Br)NC(=O)N
c1cc(ccc1C(=O)N2CCC(CC2)Br)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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