2026-10-31_00000441
|
ligand
|
15QO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005831;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQE
InChI=1S/C14H16N4O2/c19-14(20)8-3-9-5-18(6-10(9)4-8)13-11-1-2-15-12(11)16-7-17-13/h1-2,7-10H,3-6H2,(H,19,20)(H,15,16,17)/t8-,9-,10+
InChI=1S/C14H16N4O2/c19-14(20)8-3-9-5-18(6-10(9)4-8)13-11-1-2-15-12(11)16-7-17-13/h1-2,7-10H,3-6H2,(H,19,20)(H,15,16,17)/t8-,9-,10+
SMILES: c1c[nH]c2c1c(ncn2)N3C[C@H]4CC(C[C@H]4C3)C(=O)O
c1c[nH]c2c1c(ncn2)N3C[C@H]4CC(C[C@H]4C3)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%