2026-10-31_00000282
|
ligand
|
15KL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005588;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2K
InChI=1S/C15H20N4O/c1-3-11(4-1)20-12-5-2-8-19(9-12)15-13-6-7-16-14(13)17-10-18-15/h6-7,10-12H,1-5,8-9H2,(H,16,17,18)/t12-/m1/s1
InChI=1S/C15H20N4O/c1-3-11(4-1)20-12-5-2-8-19(9-12)15-13-6-7-16-14(13)17-10-18-15/h6-7,10-12H,1-5,8-9H2,(H,16,17,18)/t12-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)OC4CCC4
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)OC4CCC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%