2026-10-31_00000059
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ligand
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15BV
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000732;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSY
InChI=1S/C18H19N5O/c1-11-12(2)21-17-16(11)18(20-10-19-17)22-23-14(8-9-15(23)24)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3,(H2,19,20,21,22)/t14-/m0/s1
InChI=1S/C18H19N5O/c1-11-12(2)21-17-16(11)18(20-10-19-17)22-23-14(8-9-15(23)24)13-6-4-3-5-7-13/h3-7,10,14H,8-9H2,1-2H3,(H2,19,20,21,22)/t14-/m0/s1
SMILES: Cc1c([nH]c2c1c(ncn2)NN3[C@@H](CCC3=O)c4ccccc4)C
Cc1c([nH]c2c1c(ncn2)NN3[C@@H](CCC3=O)c4ccccc4)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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