2026-10-31_00000401
|
ligand
|
15PA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005696;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXO
InChI=1S/C10H12N4O/c15-7-3-6(4-7)14-10-8-1-2-11-9(8)12-5-13-10/h1-2,5-7,15H,3-4H2,(H2,11,12,13,14)/t6-,7+
InChI=1S/C10H12N4O/c15-7-3-6(4-7)14-10-8-1-2-11-9(8)12-5-13-10/h1-2,5-7,15H,3-4H2,(H2,11,12,13,14)/t6-,7+
SMILES: c1c[nH]c2c1c(ncn2)NC3CC(C3)O
c1c[nH]c2c1c(ncn2)NC3CC(C3)O
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%