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 19295

Title: NMR solution structure of Pin1 WW domain variant 6-1

Authors: Enck, Sebastian; Chen, Wentao; Price, Joshua; Powers, Evan; Wong, Chi-Huey; Dyson, H.; Kelly, Jeffery

Citation: Chen, Wentao; Enck, Sebastian; Price, Joshua; Powers, David; Powers, Evan; Wong, Chi-Huey; Dyson, H.; Kelly, Jeffery. "The Structural and Energetic Basis of Carbohydrate-Aromatic Packing Interactions in Proteins"  J. Am. Chem. Soc. ., .-..

Assembly members:
Pin_WW_Domain_Peptide, polymer, 34 residues, 4022.546 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):
Pin_WW_Domain_Peptide: KLPPGWEKRMFRSNGTVYYF NHITNASQFERPSG

Data sets:
Data typeCount
1H chemical shifts242

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Pin1 WW domain variant 6-11

Entities:

Entity 1, Pin1 WW domain variant 6-1 34 residues - 4022.546 Da.

1   LYSLEUPROPROGLYTRPGLULYSARGMET
2   PHEARGSERASNGLYTHRVALTYRTYRPHE
3   ASNHISILETHRASNALASERGLNPHEGLU
4   ARGPROSERGLY

Samples:

sample_1: Pin WW Domain Peptide 500 uM; sodium phosphate 50 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.08 M; pH: 6.5; pressure: 1 atm; temperature: 285 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H 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
  • Bruker DRX 750 MHz

Related Database Links:

BMRB 19296
PDB