2026-10-31_00000409
|
ligand
|
15PI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005526;
X-ray diffraction 0.96Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTJ
InChI=1S/C14H15N5OS/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(7-19)20-8-12-15-4-6-21-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1
InChI=1S/C14H15N5OS/c1-3-16-13-11(1)14(18-9-17-13)19-5-2-10(7-19)20-8-12-15-4-6-21-12/h1,3-4,6,9-10H,2,5,7-8H2,(H,16,17,18)/t10-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)OCc4nccs4
c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)OCc4nccs4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%