2026-10-31_00000255
|
ligand
|
15JK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005105;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2V
InChI=1S/C16H15N5O2/c22-16(14-11-3-4-18-15(11)21-9-20-14)19-8-10-1-2-12-13(7-10)23-6-5-17-12/h1-4,7,9,17H,5-6,8H2,(H,19,22)(H,18,20,21)
InChI=1S/C16H15N5O2/c22-16(14-11-3-4-18-15(11)21-9-20-14)19-8-10-1-2-12-13(7-10)23-6-5-17-12/h1-4,7,9,17H,5-6,8H2,(H,19,22)(H,18,20,21)
SMILES: c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)OCCN2
c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)OCCN2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%