2025-08-16_00000072
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ligand
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7HPO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1695_15;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJ7
InChI=1S/C15H15N5OS/c16-8-11-3-4-13(18-9-11)20-6-1-2-12(10-20)14(21)19-15-17-5-7-22-15/h3-5,7,9,12H,1-2,6,10H2,(H,17,19,21)/t12-/m1/s1
InChI=1S/C15H15N5OS/c16-8-11-3-4-13(18-9-11)20-6-1-2-12(10-20)14(21)19-15-17-5-7-22-15/h3-5,7,9,12H,1-2,6,10H2,(H,17,19,21)/t12-/m1/s1
SMILES: c1cc(ncc1C#N)N2CCC[C@H](C2)C(=O)Nc3nccs3
c1cc(ncc1C#N)N2CCC[C@H](C2)C(=O)Nc3nccs3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%