2026-10-31_00000072
|
ligand
|
15CI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003576;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQO
InChI=1S/C11H14N4O/c1-3-8(16)5-13-11-9-7(2)4-12-10(9)14-6-15-11/h4,6H,3,5H2,1-2H3,(H2,12,13,14,15)
InChI=1S/C11H14N4O/c1-3-8(16)5-13-11-9-7(2)4-12-10(9)14-6-15-11/h4,6H,3,5H2,1-2H3,(H2,12,13,14,15)
SMILES: CCC(=O)CNc1c2c(c[nH]c2ncn1)C
CCC(=O)CNc1c2c(c[nH]c2ncn1)C
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%