2026-10-31_00000060
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ligand
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15BW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000693;
X-ray diffraction 1.10Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSZ
InChI=1S/C12H12N6O/c1-7-2-3-9(19)18(7)17-12-10-8(4-13)5-14-11(10)15-6-16-12/h5-7H,2-3H2,1H3,(H2,14,15,16,17)/t7-/m0/s1
InChI=1S/C12H12N6O/c1-7-2-3-9(19)18(7)17-12-10-8(4-13)5-14-11(10)15-6-16-12/h5-7H,2-3H2,1H3,(H2,14,15,16,17)/t7-/m0/s1
SMILES: C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3ncn2)C#N
C[C@H]1CCC(=O)N1Nc2c3c(c[nH]c3ncn2)C#N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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