2026-10-31_00000229
|
ligand
|
15IK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005010;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D12
InChI=1S/C13H16N4O/c1-3-13(8-18-7-1)4-6-17(13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9H,1,3-4,6-8H2,(H,14,15,16)/t13-/m1/s1
InChI=1S/C13H16N4O/c1-3-13(8-18-7-1)4-6-17(13)12-10-2-5-14-11(10)15-9-16-12/h2,5,9H,1,3-4,6-8H2,(H,14,15,16)/t13-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@@]34CCCOC4
c1c[nH]c2c1c(ncn2)N3CC[C@@]34CCCOC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%