2025-08-09_00000132
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ligand
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7IJQ
Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 macrodomain in complex with POB176 (Mac1-x10199);
X-ray diffraction 1.21Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CLU
InChI=1S/C13H13NO3/c15-13(16)10-3-1-2-9(10)8-4-5-12-11(6-8)14-7-17-12/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10-/m1/s1
InChI=1S/C13H13NO3/c15-13(16)10-3-1-2-9(10)8-4-5-12-11(6-8)14-7-17-12/h4-7,9-10H,1-3H2,(H,15,16)/t9-,10-/m1/s1
SMILES: c1cc2c(cc1[C@H]3CCC[C@H]3C(=O)O)nco2
c1cc2c(cc1[C@H]3CCC[C@H]3C(=O)O)nco2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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