Biological Magnetic Resonance Data Bank

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

BMRB Entry 6627

Title: Structure of cyclotide Kalata B1 in DPC micelles solution   PubMed: 16817894

Deposition date: 2005-05-12 Original release date: 2006-08-07

Authors: Shenkarev, Zakhar; Nadezhdin, Kirill

Citation: Shenkarev, Zakhar; Nadezhdin, Kirill; Sobol, Vladimir; Sobol, Alexander; Skjeldal, Lars; Arseniev, Alexander. "Conformation and mode of membrane interaction in cyclotides"  FEBS J. 273, 2658-2672 (2006).

Assembly members:
Kalata B1, polymer, 29 residues, Formula weight is not available

Natural source:   Common Name: Oldenlandia affinis   Taxonomy ID: 60225   Superkingdom: Eukaryota   Kingdom: Viridiplantae   Genus/species: Rubiaceae Oldenlandia

Experimental source:   Production method: Purified from the natural source

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts111
1H chemical shifts303
coupling constants100

Additional metadata:

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


Entity Assembly IDEntity NameEntity ID
1Kalata B11


Entity 1, Kalata B1 29 residues - Formula weight is not available

The numbering is arbitrary as peptide is cyclic, original numbering starts from S18.



sample_1: Kalata B1 3.6 mM; DPC, [U-98% 2D], 216 mM; D2O 10%; H2O 90%

sample_2: Kalata B1 3.6 mM; D2O 100%

conditions_1: ionic strength: 0 M; pH: 2.8; temperature: 313 K

conditions_2: ionic strength: 0 M; pH: 2.8; temperature: 313 K


NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
2D TOCSYnot availablenot availablenot available
DQF COSYnot availablenot availablenot available
1H13C HSQCnot availablenot availablenot available
HMBCnot availablenot availablenot available
NOESY - infitnot availablenot availablenot available
COSY -acmenot availablenot availablenot available
long-range band selective HMQCnot availablenot availablenot available
quantitative J correlationnot availablenot availablenot available


No software information available

NMR spectrometers:

  • Varian UNITY 600 MHz
  • Bruker DRX 500 MHz