2025-08-09_00000130
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ligand
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7IJO
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 POB177 (Mac1-x10183);
X-ray diffraction 1.18Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CLS
InChI=1S/C15H15NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9,13-14H,1-3H2,(H,17,18)/t13-,14-/m1/s1
InChI=1S/C15H15NO2/c17-15(18)14-3-1-2-13(14)11-4-5-12-9-16-7-6-10(12)8-11/h4-9,13-14H,1-3H2,(H,17,18)/t13-,14-/m1/s1
SMILES: c1cc2cnccc2cc1[C@H]3CCC[C@H]3C(=O)O
c1cc2cnccc2cc1[C@H]3CCC[C@H]3C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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