2026-10-31_00000461
|
ligand
|
15RI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005609;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ8
InChI=1S/C14H11FN4O/c15-11-4-2-1-3-9(11)7-17-14(20)12-10-5-6-16-13(10)19-8-18-12/h1-6,8H,7H2,(H,17,20)(H,16,18,19)
InChI=1S/C14H11FN4O/c15-11-4-2-1-3-9(11)7-17-14(20)12-10-5-6-16-13(10)19-8-18-12/h1-6,8H,7H2,(H,17,20)(H,16,18,19)
SMILES: c1ccc(c(c1)CNC(=O)c2c3cc[nH]c3ncn2)F
c1ccc(c(c1)CNC(=O)c2c3cc[nH]c3ncn2)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%