1KDX

KIX DOMAIN OF MOUSE CBP (CREB BINDING PROTEIN) IN COMPLEX WITH PHOSPHORYLATED KINASE INDUCIBLE DOMAIN (PKID) OF RAT CREB (CYCLIC AMP RESPONSE ELEMENT BINDING PROTEIN), NMR 17 STRUCTURES

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	TRIPLE-RESONANCE EXPERIMENTS: HNCA	H2O OR D2O		0.07	5.5	1 atm	315
2	HN(CO)CA	H2O OR D2O		0.07	5.5	1 atm	315
3	CBCA(CO)NH	H2O OR D2O		0.07	5.5	1 atm	315
4	HNCACB; DOUBLE-RESONANCE: 15N-EDITED TOCSY	H2O OR D2O		0.07	5.5	1 atm	315
5	HCCH-TOCSY	H2O OR D2O		0.07	5.5	1 atm	315
6	HCCH-COSY; FOR RESTRAINT GENERATION: 15N- AND 13C-EDITED NOESYS	H2O OR D2O		0.07	5.5	1 atm	315
7	SELECT-FILTERED NOESY	H2O OR D2O		0.07	5.5	1 atm	315
8	DOUBLE HALF-FILTERED NOESY	H2O OR D2O		0.07	5.5	1 atm	315
9	HNHA	H2O OR D2O		0.07	5.5	1 atm	315
10	CONSTANT-TIME SPIN-ECHO DIFFERENCE EXPERIMENTS	H2O OR D2O		0.07	5.5	1 atm	315

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AMX	500
2	Bruker	DMX	600
3	Bruker	DRX	750

NMR Refinement
Method	Details	Software
DG, SA		DIANA

NMR Ensemble Information
Conformer Selection Criteria	LOWEST CONSTRAINT ENERGIES
Conformers Calculated Total Number	40
Conformers Submitted Total Number	17
Representative Model	1 (n/a)

Additional NMR Experimental Information
Details	THE STRUCTURE WAS DETERMINED USING RESTRAINTS DERIVED FROM 15N- AND 13C-EDITED NOESYS, SELECT-FILTERED NOESY, DOUBLE HALF-FILTERED NOESY, HNHA AND CONSTANT TIME SPIN-ECHO-DIFFERENCE EXPERIMENTS.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	refinement	DIANA		WUTHRICH PROGRAM 2 : AMBER 4.1 AUTHORS 2 : PEARLMAN,CASE,CALDWELL,ROSS,CHEATHAM, FERGUSON,SEIBEL,SINGH,WEINER,KOLLMAN
2	structure solution	MSI FELIX95	FELIX95

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.