2026-10-31_00000384
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ligand
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15OJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005506;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTF
InChI=1S/C13H19N3O3/c1-2-10(7-8-17)15-12(18)9-3-5-11(6-4-9)16-13(14)19/h3-6,10,17H,2,7-8H2,1H3,(H,15,18)(H3,14,16,19)/t10-/m0/s1
InChI=1S/C13H19N3O3/c1-2-10(7-8-17)15-12(18)9-3-5-11(6-4-9)16-13(14)19/h3-6,10,17H,2,7-8H2,1H3,(H,15,18)(H3,14,16,19)/t10-/m0/s1
SMILES: CC[C@@H](CCO)NC(=O)c1ccc(cc1)NC(=O)N
CC[C@@H](CCO)NC(=O)c1ccc(cc1)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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