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 20048

Title: NMR solution structure of an analgesic Mu-contoxin KIIIA   PubMed: 19170536

Authors: Khoo, Keith; Feng, Zhiping; Norton, Raymond

Citation: Khoo, Keith; Feng, Zhi-Ping; Smith, Brian; Zhang, Min-Min; Yoshikami, Doju; Olivera, Baldomero; Bulaj, Grzegorz; Norton, Raymond. "Structure of the Analgesic mu-Conotoxin KIIIA and Effects on the Structure and Function of Disulfide Deletion"  Biochemistry 48, 1210-1219 (2009).

Assembly members:
KIIIA, polymer, 16 residues, 1895.206 Da.

Natural source:   Common Name: Conus kinoshitai   Taxonomy ID: 376876   Superkingdom: Eukaryota   Kingdom: Conidae   Genus/species: Conus kinoshitai

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
KIIIA: CCNCSSKWCRDHSRCC

Data sets:
Data typeCount
13C chemical shifts14
15N chemical shifts15
1H chemical shifts93

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1KIIIA1

Entities:

Entity 1, KIIIA 16 residues - 1895.206 Da.

1   CYSCYSASNCYSSERSERLYSTRPCYSARG
2   ASPHISSERARGCYSCYS

Samples:

KIIIA_H2O: KIIIA 2.6 mM

KIIIA_D2O: KIIIA 2.3 mM

pH_2.9_278_K: pH: 2.9; temperature: 278 K

pH_2.9_283_K: pH: 2.9; temperature: 283 K

pH_4.8_278_K: pH: 4.8; temperature: 278 K

pH_4.8_293_K: pH: 4.8; temperature: 293 K

pH_5.3_278_K: pH: 5.3; temperature: 278 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCKIIIA_H2OisotropicpH_2.9_283_K
2D 1H-13C HSQCKIIIA_H2OisotropicpH_2.9_278_K
2D 1H-1H TOCSYKIIIA_H2OisotropicpH_4.8_278_K
2D DQF-COSYKIIIA_H2OisotropicpH_4.8_278_K
2D 1H-1H NOESYKIIIA_H2OisotropicpH_4.8_278_K
2D 1H-1H TOCSYKIIIA_H2OisotropicpH_2.9_278_K
2D 1H-1H NOESYKIIIA_H2OisotropicpH_2.9_278_K
2D 1H-1H TOCSYKIIIA_D2OisotropicpH_5.3_278_K
2D 1H-1H NOESYKIIIA_D2OisotropicpH_5.3_278_K

Software:

TOPSPIN v1.3, Bruker Biospin - collection, processing

XEASY v1.3.13, Bartels et al. - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - geometry optimization, refinement

ProcheckNMR, Laskowski and MacArthur - data analysis

NMR spectrometers:

  • Bruker DRX 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
SP P0C195