BMRB Entry 20049
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR20049
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: NMR solution structure of Mu-KIIIA[C1A,C9A] PubMed: 19170536
Deposition date: 2008-09-28 Original release date: 2009-04-04
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[Ala1,9], polymer, 16 residues, 1831.085 Da.
Natural source: Common Name: Conuskinoshitai Taxonomy ID: 376876 Superkingdom: Eukaryota Kingdom: Conidae Genus/species: Conus kinoshitai
Experimental source: Production method: recombinant technology
Entity Sequences (FASTA):
KIIIA[Ala1,9]: ACNCSSKWARDHSRCC
- assigned_chemical_shifts
Data type | Count |
13C chemical shifts | 15 |
15N chemical shifts | 12 |
1H chemical shifts | 94 |
Additional metadata:
Assembly:
Entity Assembly ID | Entity Name | Entity ID |
---|---|---|
1 | KIIIA[Ala1,9] | 1 |
Entities:
Entity 1, KIIIA[Ala1,9] 16 residues - 1831.085 Da.
1 | ALA | CYS | ASN | CYS | SER | SER | LYS | TRP | ALA | ARG | ||||
2 | ASP | HIS | SER | ARG | CYS | CYS |
Samples:
KIIIA(Ala1_9)_H2O: KIIIA[Ala1,9] 3.7 mM
KIIIA(Ala1_9)_D2O: KIIIA[Ala1,9] 3.7 mM
pH_5.3_278_K: pH: 5.3; temperature: 278 K
pH_5.3_283_K: pH: 5.3; temperature: 283 K
pH_5.3_293_K: pH: 5.3; temperature: 293 K
pH_3.2_278_K: pH: 3.2; temperature: 278 K
pH_4.2_278_K: pH: 4.2; temperature: 278 K
Experiments:
Name | Sample | Sample state | Sample conditions |
---|---|---|---|
2D 1H-15N HSQC | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_283_K |
2D 1H-13C HSQC | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_278_K |
2D 1H-1H TOCSY | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_278_K |
2D DQF-COSY | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_278_K |
2D 1H-1H NOESY | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_278_K |
2D 1H-1H TOCSY | KIIIA(Ala1_9)_H2O | isotropic | pH_3.2_278_K |
2D 1H-1H NOESY | KIIIA(Ala1_9)_H2O | isotropic | pH_3.2_278_K |
2D 1H-1H TOCSY | KIIIA(Ala1_9)_D2O | isotropic | pH_4.2_278_K |
2D 1H-1H NOESY | KIIIA(Ala1_9)_D2O | isotropic | pH_4.2_278_K |
2D 1H-1H NOESY | KIIIA(Ala1_9)_H2O | isotropic | pH_5.3_293_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, structure solution
ProcheckNMR, Laskowski and MacArthur - data analysis
NMR spectrometers:
- Bruker DRX 600 MHz
- Bruker Avance 500 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts