2026-10-31_00000418
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ligand
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15PR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005575;
X-ray diffraction 0.96Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP2
InChI=1S/C18H19FN4O/c19-16-6-2-1-4-13(16)11-24-14-5-3-9-23(10-14)18-15-7-8-20-17(15)21-12-22-18/h1-2,4,6-8,12,14H,3,5,9-11H2,(H,20,21,22)/t14-/m0/s1
InChI=1S/C18H19FN4O/c19-16-6-2-1-4-13(16)11-24-14-5-3-9-23(10-14)18-15-7-8-20-17(15)21-12-22-18/h1-2,4,6-8,12,14H,3,5,9-11H2,(H,20,21,22)/t14-/m0/s1
SMILES: c1ccc(c(c1)CO[C@H]2CCCN(C2)c3c4cc[nH]c4ncn3)F
c1ccc(c(c1)CO[C@H]2CCCN(C2)c3c4cc[nH]c4ncn3)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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