2026-10-31_00000033
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ligand
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15AV
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000677;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQL
InChI=1S/C12H12BrN5O3/c1-21-12(20)9-8(13)7-10(16-9)14-5-15-11(7)17-18-4-2-3-6(18)19/h5H,2-4H2,1H3,(H2,14,15,16,17)
InChI=1S/C12H12BrN5O3/c1-21-12(20)9-8(13)7-10(16-9)14-5-15-11(7)17-18-4-2-3-6(18)19/h5H,2-4H2,1H3,(H2,14,15,16,17)
SMILES: COC(=O)c1c(c2c([nH]1)ncnc2NN3CCCC3=O)Br
COC(=O)c1c(c2c([nH]1)ncnc2NN3CCCC3=O)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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