SAR-By-NMR Service

Nuclear Magnetic Resonance (NMR) is a technique for solving protein and nucleic acid structures as well as evaluating protein dynamics and complex formation. We offer a milestone based structure determination service by NMR spectroscopy, Structure-Activity-Relationships-by-NMR, with options for protein compound binding screenings. The progress of each project is evaluated at each milestone point and communicated to the customer. Delivery timeline is project dependent.

Send us your target of interest and Quote today to have the structure analyzed.

Phase of Project	Milestones	Service Specifications	Deliverables
I. Protein production	Cloning and expression optimization	• Gene synthesis with codon optimization • Subclone into expression vector(s) • Expression screening • Expression condition optimization	• Report of fully optimized sequence • Record of cloning and expression screening optimization
I. Protein production	¹⁵N/¹³C Isotope labeling and protein production	• Protein expression at scales for generating sufficient quantities of ¹⁵N/¹³C Isotope labeled target protein • Optimized purification for high quality protein production • QC by SDS-PAGE	High purity ¹⁵N/¹³C Isotope labeled protein >95% pure, ready for NMR experiments
II. NMR structure determination	Folding screening by ¹⁵N HSQC	¹⁵N HSQC screening for best data collection conditions	Report of screening conditions and results, including ¹⁵N HSQC spectra
	NMR data collection	• Backbone Assignments • Sidechain assignments • NOE-derived distance restraints and J-coupling-derived dihedral angle restraints • Residual dipolar couplings	NMR data
	NMR solution structure calculation	Structure determination with proprietary automated and manually adjusted software programs	Structure ensemble
III. Protein dynamics, disorder, stability analysis (optional)	Data collection	Data collection	NMR data
	Analysis of user-specified parameter	Determination of requested parameters	Detailed report of user-specified parameters
IV. Protein Complex determination and functional analysis; Protein-Protein , Protein/Nucleic Acid complex analysis (optional)	Preparation of protein complex	• Titration of ligand • Determining best complex conditions	NMR data and report
	Protein binding site determination	• Chemical shift perturbation studies/Xfiltered NOESY anaylsis • Structure analysis	Report of binding characteristics including structure representation
	Complex structure determination	Milestones and steps refer to phase I-III	• Protein Structure ensemble • Structure Analysis Report • NMR data