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 18875

Title: [Aba5,14]BTD-2   PubMed: 23430740

Authors: Conibear, Anne; Rosengren, K. Johan; Daly, Norelle; Troiera Henriques, Sonia; Craik, David

Citation: Conibear, Anne; Rosengren, K. Johan; Daly, Norelle; Henriques, Sonia Troeira; Craik, David. "The Cyclic Cystine Ladder in -Defensins Is Important for Structure and Stability, but Not Antibacterial Activity."  J. Biol. Chem. 288, 10830-10840 (2013).

Assembly members:
[Aba5,14]BTD-2, polymer, 18 residues, 1884.371 Da.

Natural source:   Common Name: Olive Baboon   Taxonomy ID: 9555   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Papio anubis

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts54
1H chemical shifts122

Additional metadata:

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  • Samples and Experiments
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Entity Assembly IDEntity NameEntity ID


Entity 1, [Aba5,14]BTD-2 18 residues - 1884.371 Da.

This is a head-to-tail cyclic peptide with a peptide bond between Arg18 and Gly1. Residues 5 and 14 are alpha-aminobutyric acid Aba (B)



H2O_D2Osample: [Aba5,14]BTD-2 0.6 mM; DSS 10 ug; H2O 90%; D2O 10%

D2Osample: [Aba5,14]BTD-2 0.6 mM; DSS 10 ug; D2O 100%

sample_conditions_1: pH: 4; pressure: 1 atm; temperature: 298 K


NameSampleSample stateSample conditions
2D 1H-1H TOCSYH2O_D2Osampleisotropicsample_conditions_1
2D 1H-1H NOESYH2O_D2Osampleisotropicsample_conditions_1
2D 1H-13C HSQCD2Osampleisotropicsample_conditions_1
2D DQF-COSYH2O_D2Osampleisotropicsample_conditions_1
2D 1H-1H ECOSYD2Osampleisotropicsample_conditions_1


CcpNMR v2.1, CCPN - chemical shift assignment, data analysis, peak picking

TOPSPIN v2.1, Bruker Biospin - collection, processing

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

CNS v2.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker Avance 600 MHz

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