BMRB

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 27746

Title: The conduction pathway of potassium channels is water-free under physiological conditions

Deposition date: 2019-01-04 Original release date: 2019-08-02

Authors: Oester, Carl; Hendriks, Kitty; Kopec, Wojciech; Chevelkov, Veniamin; Shi, Chaowei; Michl, Dagmar; Lange, Sascha; Sun, Han; de Groot, Bert; Lange, Adam

Citation: Oester, Carl; Hendriks, Kitty; Kopec, Wojciech; Chevelkov, Veniamin; Shi, Chaowei; Michl, Dagmar; Lange, Sascha; Sun, Han; de Groot, Bert; Lange, Adam. "The conduction pathway of potassium channels is water free under physiological conditions"  Sci. Adv. 5, .-. (2019).

Assembly members:
NaK2K, polymer, 107 residues, Formula weight is not available

Natural source:   Common Name: Bacillus cereus   Taxonomy ID: 1396   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bacillus cereus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET28a

Entity Sequences (FASTA):
NaK2K: MAKDKEFQVLFVLTILTLIS GTIFYSTVEGLRPIDALYFS VVTLTTVGYGDFSPQTDFGK IFTILYIFIGIGLVFGFIHK LAVNVQLPSILSNLVPRGSR SHHHHHH

Data sets:
Data typeCount
13C chemical shifts70
15N chemical shifts31
1H chemical shifts31

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1NaK2K, chain 11
2NaK2K, chain 21
3NaK2K, chain 31
4NaK2K, chain 41

Entities:

Entity 1, NaK2K, chain 1 107 residues - Formula weight is not available

Last 6 residues is a His-tag

1   METALALYSASPLYSGLUPHEGLNVALLEU
2   PHEVALLEUTHRILELEUTHRLEUILESER
3   GLYTHRILEPHETYRSERTHRVALGLUGLY
4   LEUARGPROILEASPALALEUTYRPHESER
5   VALVALTHRLEUTHRTHRVALGLYTYRGLY
6   ASPPHESERPROGLNTHRASPPHEGLYLYS
7   ILEPHETHRILELEUTYRILEPHEILEGLY
8   ILEGLYLEUVALPHEGLYPHEILEHISLYS
9   LEUALAVALASNVALGLNLEUPROSERILE
10   LEUSERASNLEUVALPROARGGLYSERARG
11   SERHISHISHISHISHISHIS

Samples:

sample_1: NaK2K, [U-13C; U-15N; U-2H], 4.5 mg/mL; potassium chloride 50 mM; TRIS 20 mM; E. Coli total lipid extract 2 mg/mL

sample_2: NaK2K, [U-13C; U-15N; U-2H], 2 mg/mL; potassium chloride 50 mM; TRIS 20 mM; E. Coli total lipid extract 1.0 mg/mL

sample_conditions_1: pH: 8; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
3D (H)CANHsample_1solidsample_conditions_1
3D (H)CONHsample_1solidsample_conditions_1
3D (H)CACO(N)Hsample_1solidsample_conditions_1
3D (H)COCA(N)Hsample_1solidsample_conditions_1
2D (H)NHsample_1solidsample_conditions_1
3D (H)CANHsample_2solidsample_conditions_1
3D (H)CONHsample_2solidsample_conditions_1
2D (H)NHsample_2solidsample_conditions_1

Software:

TOPSPIN v4, Bruker Biospin - collection, processing

SPARKY, Goddard - chemical shift assignment

CCPN, CCPN - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 900 MHz
  • Bruker Avance 600 MHz

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts