2026-10-31_00000074
|
ligand
|
15CK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0001494;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQQ
InChI=1S/C11H13BrN4O/c12-7-4-13-9-8(7)10(16-6-15-9)14-5-11(17)2-1-3-11/h4,6,17H,1-3,5H2,(H2,13,14,15,16)
InChI=1S/C11H13BrN4O/c12-7-4-13-9-8(7)10(16-6-15-9)14-5-11(17)2-1-3-11/h4,6,17H,1-3,5H2,(H2,13,14,15,16)
SMILES: c1c(c2c([nH]1)ncnc2NCC3(CCC3)O)Br
c1c(c2c([nH]1)ncnc2NCC3(CCC3)O)Br
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%