2026-10-31_00000245
|
ligand
|
15JA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005071;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D18
InChI=1S/C15H14N4O/c1-10-3-2-4-11(7-10)8-17-15(20)13-12-5-6-16-14(12)19-9-18-13/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)
InChI=1S/C15H14N4O/c1-10-3-2-4-11(7-10)8-17-15(20)13-12-5-6-16-14(12)19-9-18-13/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)
SMILES: Cc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
Cc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%