2026-10-31_00000455
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ligand
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15RC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004708;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ4
InChI=1S/C15H12FN3O/c16-12-3-1-2-10(8-12)15(20)19-9-11-4-6-17-14-13(11)5-7-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChI=1S/C15H12FN3O/c16-12-3-1-2-10(8-12)15(20)19-9-11-4-6-17-14-13(11)5-7-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
SMILES: c1cc(cc(c1)F)C(=O)NCc2ccnc3c2cc[nH]3
c1cc(cc(c1)F)C(=O)NCc2ccnc3c2cc[nH]3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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