1JH4

Solution structure of the C-terminal PABC domain of human poly(A)-binding protein in complex with the peptide from Paip1

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	3mM 15N-labeled PABC; 3mM 15N-labeled peptide; 50mM phosphate buffer; 0.1M NaCl; 1mM NaN3; pH 6.3	90% H2O/10% D2O	0.1M NaCl	6.3	ambient	303
2	2D NOESY	3mM unlabeled PABC; 3mM unlabeled peptide; 50mM phosphate buffer; 0.1M NaCl; 1mM NaN3; pH 6.3	90% H2O/10% D2O	0.1M NaCl	6.3	ambient	303
3	2D NOESY	3mM unlabeled PABC; 3mM unlabeled peptide; 50mM phosphate buffer; 0.1M NaCl; 1mM NaN3; pH 6.3	100% D2O	0.1M NaCl	6.3	ambient	303
4	HNHA	3mM unlabeled PABC; 3mM N15-labeled peptide; 50mM phosphate buffer; 0.1M NaCl; 1mM NaN3; pH 6.3	90% H2O/10% D2O	0.1M NaCl	6.3	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	DRX	500

NMR Refinement
Method	Details	Software
simulated annealing	The structures are based on 1214 non-redundant NOE-derived distance constraints, 103 dihedral angle restraints, and 40 hydrogen bonds.	XwinNMR

NMR Ensemble Information
Conformer Selection Criteria	structures with the lowest energy
Conformers Calculated Total Number	200
Conformers Submitted Total Number	30
Representative Model	1 (lowest energy)

Additional NMR Experimental Information
Details	This structure was determined using standard triple-resonance and homonuclear techniques.

Computation: NMR Software
#	Classification	Version	Software Name	Author
1	collection	XwinNMR	2.1	Bruker Spectrospin
2	processing	Gifa	4.31	Delsuc
3	data analysis	XEASY	1.3.13	Wuthrich
4	structure solution	ARIA	0.9	Nilges
5	refinement	CNS	0.9	Brunger

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.