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 19874

Title: Solution Structure of kalata B1[W23WW]   PubMed: 25099014

Deposition date: 2014-03-26 Original release date: 2015-05-26

Authors: Henriques, Sonia Troeira; Huang, Yen-Hua; Chaousis, Stephanie; Wang, Conan; Craik, David

Citation: Henriques, Sonia Troeira; Huang, Yen-Hua; Chaousis, Stephanie; Wang, Conan; Craik, David. "Anticancer and toxic properties of cyclotides are dependent on phosphatidylethanolamine phospholipid targeting"  Chembiochem 15, 1956-1965 (2014).

Assembly members:
kalata B1[W23WW], polymer, 30 residues, 3103.556 Da.

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):
kalata B1[W23WW]: GLPVCGETCVGGTCNTPGCT CSWWPVCTRN

Data sets:
Data typeCount
1H chemical shifts175

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1kalata B1[W23WW]1

Entities:

Entity 1, kalata B1[W23WW] 30 residues - 3103.556 Da.

1   GLYLEUPROVALCYSGLYGLUTHRCYSVAL
2   GLYGLYTHRCYSASNTHRPROGLYCYSTHR
3   CYSSERTRPTRPPROVALCYSTHRARGASN

Samples:

sample_1: kalata_B1-W23WW 1 mM; acetonitrile 30 v/v

sample_conditions_1: ionic strength: 0 M; pH: 3.5; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

PDB
PIR A56283