2026-10-10_00000106
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ligand
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38HY
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z115674996;
X-ray diffraction 1.07Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0W
InChI=1S/C15H13NO5S2/c1-22(17,18)13-4-2-3-12(10-13)16-23(19,20)14-5-6-15-11(9-14)7-8-21-15/h2-10,16H,1H3
InChI=1S/C15H13NO5S2/c1-22(17,18)13-4-2-3-12(10-13)16-23(19,20)14-5-6-15-11(9-14)7-8-21-15/h2-10,16H,1H3
SMILES: CS(=O)(=O)c1cccc(c1)NS(=O)(=O)c2ccc3c(c2)cco3
CS(=O)(=O)c1cccc(c1)NS(=O)(=O)c2ccc3c(c2)cco3
Biounit #1
homo-dimer
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Model
Reference
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