2026-10-31_00000350
|
ligand
|
15NB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005401;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3R
InChI=1S/C13H16N4O/c18-10-3-7-17(13(10)4-1-5-13)12-9-2-6-14-11(9)15-8-16-12/h2,6,8,10,18H,1,3-5,7H2,(H,14,15,16)/t10-/m1/s1
InChI=1S/C13H16N4O/c18-10-3-7-17(13(10)4-1-5-13)12-9-2-6-14-11(9)15-8-16-12/h2,6,8,10,18H,1,3-5,7H2,(H,14,15,16)/t10-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C34CCC4)O
c1c[nH]c2c1c(ncn2)N3CC[C@H](C34CCC4)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%