2PDZ

SOLUTION STRUCTURE OF THE SYNTROPHIN PDZ DOMAIN IN COMPLEX WITH THE PEPTIDE GVKESLV, NMR, 15 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	2D-NOESY	H2O		70mM	6.2	1 atm	295
2	2D-TOCSY	H2O		70mM	6.2	1 atm	295
3	1H-15 NOESY AND TOCSY	H2O		70mM	6.2	1 atm	295
4	1H-13C NOESY	H2O		70mM	6.2	1 atm	295
5	HCCH-TOCSY	H2O		70mM	6.2	1 atm	295
6	HCCH-COSY	H2O		70mM	6.2	1 atm	295
7	CBCANH	H2O		70mM	6.2	1 atm	295
8	CBCA(CO)NH	H2O		70mM	6.2	1 atm	295
9	HNCA	H2O		70mM	6.2	1 atm	295
10	HN(CO)CA	H2O		70mM	6.2	1 atm	295
11	1H-13C HQQC-NOESY	H2O		70mM	6.2	1 atm	295

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX600	600
2	Bruker	DRX750	750

NMR Refinement
Method	Details	Software
simulated annealing		X-PLOR

NMR Ensemble Information
Conformer Selection Criteria	LOWEST ENERGIES
Conformers Calculated Total Number	200
Conformers Submitted Total Number	15
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING TRIPLE-RESONANCE NMR SPECTROSCOPY ON 13C, 15N-LABELED SYNTROPHIN PDZ DOMAIN

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	X-PLOR	3.1	BRUNGER
2	structure solution	X-PLOR

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.