2026-10-31_00000440
|
ligand
|
15QN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005829;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQD
InChI=1S/C11H11N7O/c19-11(13-3-1-7-5-16-18-17-7)9-8-2-4-12-10(8)15-6-14-9/h2,4-6H,1,3H2,(H,13,19)(H,12,14,15)(H,16,17,18)
InChI=1S/C11H11N7O/c19-11(13-3-1-7-5-16-18-17-7)9-8-2-4-12-10(8)15-6-14-9/h2,4-6H,1,3H2,(H,13,19)(H,12,14,15)(H,16,17,18)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCCc3cn[nH]n3
c1c[nH]c2c1c(ncn2)C(=O)NCCc3cn[nH]n3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%