2026-10-31_00000348
|
ligand
|
15MZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005396;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3S
InChI=1S/C13H12N4O3/c18-12(17-8-2-1-7(5-8)13(19)20)10-9-3-4-14-11(9)16-6-15-10/h1-4,6-8H,5H2,(H,17,18)(H,19,20)(H,14,15,16)/t7-,8+/m0/s1
InChI=1S/C13H12N4O3/c18-12(17-8-2-1-7(5-8)13(19)20)10-9-3-4-14-11(9)16-6-15-10/h1-4,6-8H,5H2,(H,17,18)(H,19,20)(H,14,15,16)/t7-,8+/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N[C@H]3C[C@H](C=C3)C(=O)O
c1c[nH]c2c1c(ncn2)C(=O)N[C@H]3C[C@H](C=C3)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%