2025-06-07_00000034
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ligand
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7HD9
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003713;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A7W
InChI=1S/C13H16N4O/c18-6-11-8-1-2-9(5-8)17(11)13-10-3-4-14-12(10)15-7-16-13/h3-4,7-9,11,18H,1-2,5-6H2,(H,14,15,16)/t8-,9+,11-/m1/s1
InChI=1S/C13H16N4O/c18-6-11-8-1-2-9(5-8)17(11)13-10-3-4-14-12(10)15-7-16-13/h3-4,7-9,11,18H,1-2,5-6H2,(H,14,15,16)/t8-,9+,11-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3[C@H]4CC[C@H](C4)[C@H]3CO
c1c[nH]c2c1c(ncn2)N3[C@H]4CC[C@H](C4)[C@H]3CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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