BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 26005

Title: Solution Structure of N-Allosylated Pin1 WW Domain   PubMed: 27249581

Authors: Hsu, Che-Hsiung; Park, Sangho; Mortenson, David; Foley, Lachele; Wang, Xiaocong; Woods, Robert; Case, David; Powers, Evan; Wong, Chi-Huey; Dyson, Jane; Kelly, Jeffery

Citation: Hsu, Che-Hsiung; Park, Sangho; Mortenson, David; Foley, Lachele; Wang, Xiaocong; Woods, Robert; Case, David; Powers, Evan; Wong, Chi-Huey; Dyson, Jane; Kelly, Jeffery. "The Dependence of Carbohydrate-Aromatic Interaction Strengths on the Structure of the Carbohydrate"  J. Am. Chem. Soc. 138, 7636-7648 (2016).

Assembly members:
entity, polymer, 33 residues, Formula weight is not available
D-ALLOPYRANOSE, non-polymer, 180.156 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
entity: KLPPGWEKRMFANGTVYYFN HITNASQFERPSG

Data sets:
Data typeCount
1H chemical shifts235

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1entity1
2D-ALLOPYRANOSE2

Entities:

Entity 1, entity 33 residues - Formula weight is not available

1   LYSLEUPROPROGLYTRPGLULYSARGMET
2   PHEALAASNGLYTHRVALTYRTYRPHEASN
3   HISILETHRASNALASERGLNPHEGLUARG
4   PROSERGLY

Entity 2, D-ALLOPYRANOSE - C6 H12 O6 - 180.156 Da.

1   ALL

Samples:

sample_1: Pin WW Domain Peptide 1.5 uM; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 50 mM; pH: 6.5; pressure: 1 atm; temperature: 285 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure solution

NMR spectrometers:

  • Bruker DRX 600 MHz

Related Database Links: