BMRB Entry 27746

Name: The conduction pathway of potassium channels is water-free under physiological conditions
Published: 2019-08-02

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR27746

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Nicholas Rego and David Koes
3Dmol.js: molecular visualization with WebGL
Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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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:

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:

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

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

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

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	70
15N chemical shifts	31
1H chemical shifts	31

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	NaK2K, chain 1	1
2	NaK2K, chain 2	1
3	NaK2K, chain 3	1
4	NaK2K, chain 4	1

Entities:

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

Last 6 residues is a His-tag

1

MET

ALA

LYS

ASP

LYS

GLU

PHE

GLN

VAL

LEU

2

PHE

VAL

LEU

THR

ILE

LEU

THR

LEU

ILE

SER

3

GLY

THR

ILE

PHE

TYR

SER

THR

VAL

GLU

GLY

4

LEU

ARG

PRO

ILE

ASP

ALA

LEU

TYR

PHE

SER

5

VAL

THR

LEU

THR

VAL

GLY

TYR

GLY

6

ASP

PHE

SER

PRO

GLN

THR

ASP

PHE

GLY

LYS

7

ILE

PHE

THR

ILE

LEU

TYR

ILE

PHE

ILE

GLY

8

ILE

GLY

LEU

VAL

PHE

GLY

PHE

ILE

HIS

LYS

9

LEU

ALA

VAL

ASN

VAL

GLN

LEU

PRO

SER

ILE

10

LEU

SER

ASN

LEU

VAL

PRO

ARG

GLY

SER

ARG

11

SER

HIS

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:

Name	Sample	Sample state	Sample conditions
3D (H)CANH	sample_1	solid	sample_conditions_1
3D (H)CONH	sample_1	solid	sample_conditions_1
3D (H)CACO(N)H	sample_1	solid	sample_conditions_1
3D (H)COCA(N)H	sample_1	solid	sample_conditions_1
2D (H)NH	sample_1	solid	sample_conditions_1
3D (H)CANH	sample_2	solid	sample_conditions_1
3D (H)CONH	sample_2	solid	sample_conditions_1
2D (H)NH	sample_2	solid	sample_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 HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks