2025-08-16_00000075
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ligand
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7HPR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1696_50;
X-ray diffraction 1.04Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BKC
InChI=1S/C14H16ClN5O/c15-11-5-10-13(19-11)17-7-18-14(10)20-8-2-1-3-9(20)6-16-12(21)4-8/h5,7-9H,1-4,6H2,(H,16,21)(H,17,18,19)/t8-,9+/m1/s1
InChI=1S/C14H16ClN5O/c15-11-5-10-13(19-11)17-7-18-14(10)20-8-2-1-3-9(20)6-16-12(21)4-8/h5,7-9H,1-4,6H2,(H,16,21)(H,17,18,19)/t8-,9+/m1/s1
SMILES: c1c2c([nH]c1Cl)ncnc2N3[C@@H]4CCC[C@H]3CNC(=O)C4
c1c2c([nH]c1Cl)ncnc2N3[C@@H]4CCC[C@H]3CNC(=O)C4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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