2KNE | pdb_00002kne

Calmodulin wraps around its binding domain in the plasma membrane CA2+ pump anchored by a novel 18-1 motif

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D HNCO	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
2	3D HNCO	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
3	3D HNCACB	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
4	3D HNCACB	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
5	3D CBCA(CO)NH	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
6	3D CBCA(CO)NH	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
7	3D HCCH-TOCSY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
8	3D HCCH-TOCSY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
9	3D HBHA(CO)NH	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
10	3D HBHA(CO)NH	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
11	3D HCCH-COSY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
12	3D HCCH-COSY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
13	3D 1H-15N NOESY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
14	3D 1H-15N NOESY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
15	3D 1H-13C NOESY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
16	3D 1H-13C NOESY	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
17	3D HNCO	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
18	3D HNCO	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298
19	3D HNHA	1-2 mM [U-99% 13C; U-99% 15N] entity_1-1	95% H2O/5% D2O	0.1	7.5	ambient atm	298
20	3D HNHA	1-2 mM [U-99% 13C; U-99% 15N] entity_1-2	95% H2O/5% D2O	0.1	7.5	ambient atm	298

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	700

NMR Refinement
Method	Details	Software
simulated annealing	REFINEMENT ALSO USES THE PROTEIN (CALMODULIN) & PEPTIDE (C28) RESIDUAL DIPOLAR COUPLINGS (BACKBONE NH, NCO and COCA) MEASURED IN A PHAGE-FILAMENTS ORIENTED MEDIA.	X-PLOR NIH

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	100
Conformers Submitted Total Number	20
Representative Model	1 (lowest energy)

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	geometry optimization	X-PLOR NIH	2.19	Schwieters, Kuszewski, Tjandra and Clore
2	refinement	X-PLOR NIH	2.19	Schwieters, Kuszewski, Tjandra and Clore
3	processing	Felix	Felix NMR 2007	Accelrys Software Inc.
4	peak picking	Felix	Felix NMR 2007	Accelrys Software Inc.
5	geometry optimization	Procheck		Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho
6	refinement	Procheck		Laskowski, MacArthur, Smith, Jones, Hutchinson, Morris, Moss and Tho
7	data analysis	PREDITOR		Berjanskii MV, Neal S, Wishart DS
8	torsion angles prediction	PREDITOR		Berjanskii MV, Neal S, Wishart DS

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.

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.id_divider{ color: #ccc; padding: 0 10px 0 10px; } .extended_id_info{ color: #ccc; font-size: 18px; position: relative; top: -10px; left: 4px; } 2KNE | pdb_00002kne

Calmodulin wraps around its binding domain in the plasma membrane CA2+ pump anchored by a novel 18-1 motif

2KNE | pdb_00002kne