2026-10-31_00000355
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ligand
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15NG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005413;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYL
InChI=1S/C13H14N6/c1-4-17-19(6-1)10-3-7-18(8-10)13-11-2-5-14-12(11)15-9-16-13/h1-2,4-6,9-10H,3,7-8H2,(H,14,15,16)/t10-/m0/s1
InChI=1S/C13H14N6/c1-4-17-19(6-1)10-3-7-18(8-10)13-11-2-5-14-12(11)15-9-16-13/h1-2,4-6,9-10H,3,7-8H2,(H,14,15,16)/t10-/m0/s1
SMILES: c1cnn(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3
c1cnn(c1)[C@H]2CCN(C2)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%