1BAK

SIGNAL TRANSDUCTION PLECKSTRIN HOMOLOGY DOMAIN OF G-PROTEIN COUPLED RECEPTOR KINASE 2 (BETA-ADRENERGIC RECEPTOR KINASE 1), C-TERMINAL EXTENDED, NMR, 20 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	1H-15N)HSQC				4.5		308
2	(1H-13C)HSQC				4.5		308
3	HSQC-J				4.5		308
4	HTQC				4.5		308
5	2D AND 3D 15N-NOESY-HMQC (IN H2O				4.5		308
6	IN D2O) AND HOHAHA-HMQC				4.5		308
7	13C-NOESY-HMQC				4.5		308
8	HCCH-TOCSY				4.5		308
9	CBCANH				4.5		308
10	CBCA(CO)NH				4.5		308
11	HNCA				4.5		308
12	HN(CO)CA				4.5		308
13	HNCO				4.5		308
14	{1H}15N-NOE				4.5		308
15	H2O-SELECTIVE 15N-EDITED NOESY AND ROESY				4.5		308
16	H-D-EXCHANGE				4.5		308

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DMX500	500
2	Bruker	DMX600	600

NMR Refinement
Method	Details	Software
distance geometry		XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	LEAST RESTRAINT VIOLATION
Conformers Calculated Total Number	400
Conformers Submitted Total Number	20

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	structure solution	XwinNMR
2	structure solution	XEASY
3	structure solution	DIANA
4	structure solution	DYANA
5	refinement	DYANA

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 R01GM157729.