2026-10-31_00000328
|
ligand
|
15MF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005325;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXC
InChI=1S/C12H14F2N4O/c13-12(14)19-8-2-1-5-18(6-8)11-9-3-4-15-10(9)16-7-17-11/h3-4,7-8,12H,1-2,5-6H2,(H,15,16,17)/t8-/m0/s1
InChI=1S/C12H14F2N4O/c13-12(14)19-8-2-1-5-18(6-8)11-9-3-4-15-10(9)16-7-17-11/h3-4,7-8,12H,1-2,5-6H2,(H,15,16,17)/t8-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)OC(F)F
c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)OC(F)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%