2025-08-16_00000009
|
ligand
|
7HHU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000528;
X-ray diffraction 1.03Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1A7M
InChI=1S/C18H16F2N2O3/c19-11-4-5-13(15(20)6-11)16(7-17(23)24)22-18(25)14-9-21-8-10-2-1-3-12(10)14/h4-6,8-9,16H,1-3,7H2,(H,22,25)(H,23,24)/t16-/m1/s1
InChI=1S/C18H16F2N2O3/c19-11-4-5-13(15(20)6-11)16(7-17(23)24)22-18(25)14-9-21-8-10-2-1-3-12(10)14/h4-6,8-9,16H,1-3,7H2,(H,22,25)(H,23,24)/t16-/m1/s1
SMILES: c1cc(c(cc1F)F)[C@@H](CC(=O)O)NC(=O)c2cncc3c2CCC3
c1cc(c(cc1F)F)[C@@H](CC(=O)O)NC(=O)c2cncc3c2CCC3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%