BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

2-amino-3-hydroxybutanoic Acid (C4H9NO3)

Natural Isotopic formula weight: 119.11916

View large 3D structure

bmse001142 Data

Entry STAR file: bmse001142.str
NMR-STAR interactive viewer
Time Domain Data: bmse001142.zip
BMRB Entry DOI: doi:10.13018/BMSE001142
Mol file: bmse001142.mol

solute:   100 mM 2-amino-3-hydroxybutanoic acid
solvent:   100.0 % D2O
reference:   0.01 mg/mL DSS
buffer:   50 mM sodium phosphate
cytocide:   500 µM sodium azide

Concentration and pH are given with spectrum
Spectrometer: Bruker Avance III - 500 MHz

Data Source: National Magnetic Resonance Facility at Madison - Maria . Nesterova ., Lawrence J. Clos II, Christopher . Stancic ., Mark E. Anderson ., John L. Markley ..

View the GISSMO record for this entry.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773

Experimental Data:

1D 1H

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 1H, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_1.zip
View Spectral peak list

2D 1H-1H TOCSY

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D 1H-1H TOCSY, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_2.zip

1D 13C

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D 13C, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_3.zip
View Spectral peak list

1D DEPT90

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT90, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_4.zip
View Spectral peak list

1D DEPT135

Concentration: 100 mM
temperature: 298 K
pH: 7.4
1D DEPT135, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_5.zip
View Spectral peak list

2D 1H-13C HSQC

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D 1H-13C HSQC, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_6.zip
View Spectral peak list

2D 1H-13C HMBC

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D 1H-13C HMBC, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_8.zip

2D 1H-1H COSY

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D 1H-1H COSY, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_9.zip

2D 1H-13C HSQC-TOCSY-ADIA

Concentration: 100 mM
temperature: 298 K
pH: 7.4
2D 1H-13C HSQC-TOCSY-ADIA, 7.4 spectrum for 2-amino-3-hydroxybutanoic acid
Download data directory: bmse001142_10.zip