2025-08-16_00000067
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ligand
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7HPJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1708_28;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJ3
InChI=1S/C13H16N4OS/c14-12(18)8-3-1-2-4-9(8)17-13-11-10(5-6-19-11)15-7-16-13/h5-9H,1-4H2,(H2,14,18)(H,15,16,17)/t8-,9+/m1/s1
InChI=1S/C13H16N4OS/c14-12(18)8-3-1-2-4-9(8)17-13-11-10(5-6-19-11)15-7-16-13/h5-9H,1-4H2,(H2,14,18)(H,15,16,17)/t8-,9+/m1/s1
SMILES: c1csc2c1ncnc2N[C@H]3CCCC[C@H]3C(=O)N
c1csc2c1ncnc2N[C@H]3CCCC[C@H]3C(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%