2025-08-16_00000104
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ligand
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7HQK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1702_58;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJX
InChI=1S/C14H12Cl2N2O4S/c1-8-11(15)6-9(7-12(8)16)23(21,22)18-17-14(20)10-4-2-3-5-13(10)19/h2-7,18-19H,1H3,(H,17,20)
InChI=1S/C14H12Cl2N2O4S/c1-8-11(15)6-9(7-12(8)16)23(21,22)18-17-14(20)10-4-2-3-5-13(10)19/h2-7,18-19H,1H3,(H,17,20)
SMILES: Cc1c(cc(cc1Cl)S(=O)(=O)NNC(=O)c2ccccc2O)Cl
Cc1c(cc(cc1Cl)S(=O)(=O)NNC(=O)c2ccccc2O)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%