2026-10-31_00000189
|
ligand
|
15GW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004896;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0P
InChI=1S/C15H14N4O3S/c1-23(21,22)12-5-3-2-4-10(12)8-17-15(20)13-11-6-7-16-14(11)19-9-18-13/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)
InChI=1S/C15H14N4O3S/c1-23(21,22)12-5-3-2-4-10(12)8-17-15(20)13-11-6-7-16-14(11)19-9-18-13/h2-7,9H,8H2,1H3,(H,17,20)(H,16,18,19)
SMILES: CS(=O)(=O)c1ccccc1CNC(=O)c2c3cc[nH]c3ncn2
CS(=O)(=O)c1ccccc1CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%