2026-10-31_00000184
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ligand
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15GQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004889;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYW
InChI=1S/C10H13N3O3/c11-10(16)13-8-3-1-7(2-4-8)9(15)12-5-6-14/h1-4,14H,5-6H2,(H,12,15)(H3,11,13,16)
InChI=1S/C10H13N3O3/c11-10(16)13-8-3-1-7(2-4-8)9(15)12-5-6-14/h1-4,14H,5-6H2,(H,12,15)(H3,11,13,16)
SMILES: c1cc(ccc1C(=O)NCCO)NC(=O)N
c1cc(ccc1C(=O)NCCO)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%