2025-08-16_00000084
|
ligand
|
7HQ0
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1706_49;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJM
InChI=1S/C13H14BrN5O3S/c14-8-6-10-11(16-17-12(10)15-7-8)13(20)19-5-1-4-18(9-2-3-9)23(19,21)22/h6-7,9H,1-5H2,(H,15,16,17)
InChI=1S/C13H14BrN5O3S/c14-8-6-10-11(16-17-12(10)15-7-8)13(20)19-5-1-4-18(9-2-3-9)23(19,21)22/h6-7,9H,1-5H2,(H,15,16,17)
SMILES: c1c(cnc2c1c(n[nH]2)C(=O)N3CCCN(S3(=O)=O)C4CC4)Br
c1c(cnc2c1c(n[nH]2)C(=O)N3CCCN(S3(=O)=O)C4CC4)Br
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%