2025-06-07_00000000
|
ligand
|
7HCB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000286;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A2H
InChI=1S/C13H13N7S2/c1-2-4-10(5-3-1)20-11(15-18-19-20)8-21-13-17-16-12(22-13)14-9-6-7-9/h1-5,9H,6-8H2,(H,14,16)
InChI=1S/C13H13N7S2/c1-2-4-10(5-3-1)20-11(15-18-19-20)8-21-13-17-16-12(22-13)14-9-6-7-9/h1-5,9H,6-8H2,(H,14,16)
SMILES: c1ccc(cc1)n2c(nnn2)CSc3nnc(s3)NC4CC4
c1ccc(cc1)n2c(nnn2)CSc3nnc(s3)NC4CC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%