PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with ZINC000000090873

Fragment binding to the Nsp3 macrodomain of SARS-CoV-2 identified through crystallographic screening and computational docking.

HIS6 purification tag and linker (MHHHHHHSSGVDLGTENLYFQ) cleaved with TEV protease

Nsp3,PL2-PRO,Papain-like protease,Papain-like proteinase,PL-PRO

SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGS
CVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNL
YDKLVSSFL

Severe acute respiratory syndrome coronavirus 2

SARS-CoV-2 NSP3 macrodomain from SARS-CoV-2 screened against the Enamine Essential fragment library (Enamine) and the UCSF_91 fragment library (UCSF) by X-ray Crystallography at UCSF using ALS 8.3.1, SSRL 12-1 and 12-2 and NSLS-II 17-ID-2
PanDDA analysis group deposition of SARS-CoV-2 NSP3 macrodomain fragment screen

Macrodomain, ADP-ribose, SARS-CoV-2, VIRAL PROTEIN, HYDROLASE

VNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCV
LSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYD
KLVSSFL