2026-10-31_00000148
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ligand
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15FG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005771;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DW1
InChI=1S/C15H15N5/c1-2-6-16-13(3-1)11-5-8-20(9-11)15-12-4-7-17-14(12)18-10-19-15/h1-4,6-7,10-11H,5,8-9H2,(H,17,18,19)/t11-/m1/s1
InChI=1S/C15H15N5/c1-2-6-16-13(3-1)11-5-8-20(9-11)15-12-4-7-17-14(12)18-10-19-15/h1-4,6-7,10-11H,5,8-9H2,(H,17,18,19)/t11-/m1/s1
SMILES: c1ccnc(c1)[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3
c1ccnc(c1)[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%