2025-06-07_00000108
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ligand
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7HFB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004331;
X-ray diffraction 1.12Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BAX
InChI=1S/C15H22N4O/c1-10-3-5-15(20,6-4-10)8-17-14-12-11(2)7-16-13(12)18-9-19-14/h7,9-10,20H,3-6,8H2,1-2H3,(H2,16,17,18,19)/t10-,15-
InChI=1S/C15H22N4O/c1-10-3-5-15(20,6-4-10)8-17-14-12-11(2)7-16-13(12)18-9-19-14/h7,9-10,20H,3-6,8H2,1-2H3,(H2,16,17,18,19)/t10-,15-
SMILES: Cc1c[nH]c2c1c(ncn2)NCC3(CCC(CC3)C)O
Cc1c[nH]c2c1c(ncn2)NCC3(CCC(CC3)C)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%