2026-10-31_00000199
|
ligand
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15HG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004914;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1G
InChI=1S/C15H14F2N2O3/c16-10-1-2-11(12(17)8-10)13(4-6-20)19-15(22)9-3-5-18-14(21)7-9/h1-3,5,7-8,13,20H,4,6H2,(H,18,21)(H,19,22)/t13-/m1/s1
InChI=1S/C15H14F2N2O3/c16-10-1-2-11(12(17)8-10)13(4-6-20)19-15(22)9-3-5-18-14(21)7-9/h1-3,5,7-8,13,20H,4,6H2,(H,18,21)(H,19,22)/t13-/m1/s1
SMILES: c1cc(c(cc1F)F)[C@@H](CCO)NC(=O)C2=CC(=O)NC=C2
c1cc(c(cc1F)F)[C@@H](CCO)NC(=O)C2=CC(=O)NC=C2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%