2026-10-31_00000456
|
ligand
|
15RD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004715;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQI
InChI=1S/C15H12ClN3O/c16-12-3-1-10(2-4-12)15(20)19-9-11-5-7-17-14-13(11)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
InChI=1S/C15H12ClN3O/c16-12-3-1-10(2-4-12)15(20)19-9-11-5-7-17-14-13(11)6-8-18-14/h1-8H,9H2,(H,17,18)(H,19,20)
SMILES: c1cc(ccc1C(=O)NCc2ccnc3c2cc[nH]3)Cl
c1cc(ccc1C(=O)NCc2ccnc3c2cc[nH]3)Cl
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%