2026-10-31_00000042
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ligand
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15BE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000680;
X-ray diffraction 1.08Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DV9
InChI=1S/C11H11BrClN5O/c1-5-2-3-7(19)18(5)17-10-8-6(12)4-14-9(8)15-11(13)16-10/h4-5H,2-3H2,1H3,(H2,14,15,16,17)/t5-/m0/s1
InChI=1S/C11H11BrClN5O/c1-5-2-3-7(19)18(5)17-10-8-6(12)4-14-9(8)15-11(13)16-10/h4-5H,2-3H2,1H3,(H2,14,15,16,17)/t5-/m0/s1
SMILES: C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3nc(n2)Cl)Br
C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3nc(n2)Cl)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%