2D56 | pdb_00002d56

Solution Structure of ASABF, Antibacterial Peptide Isolated from a Nematode, Ascaris Suum

SOLUTION NMR

NMR Experiment
Experiment	Type	Sample Contents	Solvent	Ionic Strength	pH	Pressure	Temperature (K)	Spectrometer
1	3D_15N-separated_NOESY	2mM ASABFd18c, 90% H2O, 10% D2O	90% H2O, 10% D2O, pH 4.0	0	4.0	ambient	303
2	DQF-COSY	2mM ASABFd18c, 90% H2O, 10% D2O	90% H2O, 10% D2O, pH 4.0	0	4.0	ambient	303
3	2D TOCSY	2mM ASABFd18c, 90% H2O, 10% D2O	90% H2O, 10% D2O, pH 4.0	0	4.0	ambient	303
4	2D NOESY	2mM ASABFd18c, 90% H2O, 10% D2O	90% H2O, 10% D2O, pH 4.0	0	4.0	ambient	303

NMR Spectrometer Information
Spectrometer	Manufacturer	Model	Field Strength
1	Bruker	AVANCE	500
2	Varian	UNITY	500

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	structure solution	CNS	1.1	Brunger
2	refinement	CNS	1.1	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 R01GM157729.