2026-10-31_00000198
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ligand
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15HF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004913;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1F
InChI=1S/C13H15N7/c1-3-14-12-11(1)13(16-9-15-12)19-5-2-10(7-19)8-20-6-4-17-18-20/h1,3-4,6,9-10H,2,5,7-8H2,(H,14,15,16)/t10-/m0/s1
InChI=1S/C13H15N7/c1-3-14-12-11(1)13(16-9-15-12)19-5-2-10(7-19)8-20-6-4-17-18-20/h1,3-4,6,9-10H,2,5,7-8H2,(H,14,15,16)/t10-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)Cn4ccnn4
c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)Cn4ccnn4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%