BMRB Entry 25928

Title:
NMR solution structure of vitamin B12 conjugates of PYY3-36   PubMed: 27027248
Deposition date:
2016-09-15
Original release date:
2016-09-15
Authors:
Doyle, R.; Henry, K.; Roth, C.; Kerwood, D.; Allis, D.; Holz, G.; Zubieta, J.
Citation:

Citation: Henry, Kelly; Kerwood, Deborah; Allis, Damian; Workinger, Jayme; Bonaccorso, Ron; Holz, George; Roth, Christian; Zubieta, Jon; Doyle, Robert. "Solution Structure and Constrained Molecular Dynamics Study of Vitamin B12 Conjugates of the Anorectic Peptide PYY(3-36)"  ChemMedChem 11, 1015-1021 (2016).

Assembly members:

Assembly members:
vitamin_B12_conjugate_of_PYY3-36, polymer, 35 residues, 4007.475 Da.

Natural source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Experimental source:

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
vitamin_B12_conjugate_of_PYY3-36: IXPEAPGEDASPEELNRYYA SLRHYLNLVVTRQRY

Data sets:
Data typeCount
1H chemical shifts214

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1vitamin B12 conjugate of PYY3-361

Entities:

Entity 1, vitamin B12 conjugate of PYY3-36 35 residues - 4007.475 Da.

1   ILELCTPROGLUALAPROGLYGLUASPALA
2   SERPROGLUGLULEUASNARGTYRTYRALA
3   SERLEUARGHISTYRLEUASNLEUVALVAL
4   THRARGGLNARGTYR

Samples:

sample_1: vitamin B12 conjugate of PYY3-36 1 ± .2 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.5; temperature: 273 K

Experiments:

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

Software:

TOPSPIN v1.3, Bruker Biospin - chemical shift assignment, chemical shift calculation, collection

NMR spectrometers:

  • Bruker DRX 500 MHz