2026-10-31_00000285
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ligand
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15KO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005193;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2N
InChI=1S/C17H15F2N3O2/c18-10-3-4-12(14(19)8-10)15(5-7-23)22-17(24)13-9-21-16-11(13)2-1-6-20-16/h1-4,6,8-9,15,23H,5,7H2,(H,20,21)(H,22,24)/t15-/m1/s1
InChI=1S/C17H15F2N3O2/c18-10-3-4-12(14(19)8-10)15(5-7-23)22-17(24)13-9-21-16-11(13)2-1-6-20-16/h1-4,6,8-9,15,23H,5,7H2,(H,20,21)(H,22,24)/t15-/m1/s1
SMILES: c1cc2c(c[nH]c2nc1)C(=O)N[C@H](CCO)c3ccc(cc3F)F
c1cc2c(c[nH]c2nc1)C(=O)N[C@H](CCO)c3ccc(cc3F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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