2026-10-31_00000460
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ligand
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15RH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005602;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ7
InChI=1S/C13H19N3O3/c1-8(7-9(2)17)15-12(18)10-3-5-11(6-4-10)16-13(14)19/h3-6,8-9,17H,7H2,1-2H3,(H,15,18)(H3,14,16,19)/t8-,9+/m0/s1
InChI=1S/C13H19N3O3/c1-8(7-9(2)17)15-12(18)10-3-5-11(6-4-10)16-13(14)19/h3-6,8-9,17H,7H2,1-2H3,(H,15,18)(H3,14,16,19)/t8-,9+/m0/s1
SMILES: C[C@@H](C[C@@H](C)O)NC(=O)c1ccc(cc1)NC(=O)N
C[C@@H](C[C@@H](C)O)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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