2026-10-31_00000469
|
ligand
|
15RQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004988;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRH
InChI=1S/C16H17N5O/c1-2-6-17-12(3-1)10-22-13-5-8-21(9-13)16-14-4-7-18-15(14)19-11-20-16/h1-4,6-7,11,13H,5,8-10H2,(H,18,19,20)/t13-/m1/s1
InChI=1S/C16H17N5O/c1-2-6-17-12(3-1)10-22-13-5-8-21(9-13)16-14-4-7-18-15(14)19-11-20-16/h1-4,6-7,11,13H,5,8-10H2,(H,18,19,20)/t13-/m1/s1
SMILES: c1ccnc(c1)CO[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3
c1ccnc(c1)CO[C@@H]2CCN(C2)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%