Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53751

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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:

Backbone 1H and 15N Chemical Shift Assignments for the CheA P1 domain from Escherichia coli with ATP

Deposition date:

2026-04-30

Original release date:

2026-09-02

Authors:

Lu-Diaz, Katherine; Huang, Jian; Chen, Jianhan; Fejzo, Jasna; Thompson, Lynmarie

Citation:

Citation: Lu-Diaz, Katherine; Huang, Jian; Chen, Jianhan; Fejzo, Jasna; Thompson, Lynmarie. "Chemotaxis kinase CheA is regulated by modulating interdomain interactions " Biophys. J. 125, 3261-3276 (2026).
PubMed: 42093153

Assembly members:

Assembly members:
entity_1, polymer, 134 residues, 15200 Da.
entity_2, non-polymer, 507.181 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pTEV-CheA-P1

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSMDISDFYQTFFDEADELL ADMEQHLLVLQPEAPDAEQL NAIFRAAHSIKGGAGTFGFS VLQETTHLMENLLDEARRGE MQLNTDIINLFLETKDIMQE QLDAYKQSQEPDAASFDYIC QALRQLALEAKGET

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
15N chemical shifts	107
1H chemical shifts	107

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CheA P1	1
2	ATP	2

Entities:

Entity 1, CheA P1 134 residues - 15200 Da.

1

MET

SER

MET

ASP

ILE

SER

ASP

PHE

TYR

GLN

2

THR

PHE

ASP

GLU

ALA

ASP

GLU

LEU

3

ALA

ASP

MET

GLU

GLN

HIS

LEU

VAL

LEU

4

GLN

PRO

GLU

ALA

PRO

ASP

ALA

GLU

GLN

LEU

5

ASN

ALA

ILE

PHE

ARG

ALA

HIS

SER

ILE

6

LYS

GLY

ALA

GLY

THR

PHE

GLY

PHE

SER

7

VAL

LEU

GLN

GLU

THR

HIS

LEU

MET

GLU

8

ASN

LEU

ASP

GLU

ALA

ARG

GLY

GLU

9

MET

GLN

LEU

ASN

THR

ASP

ILE

ASN

LEU

10

PHE

LEU

GLU

THR

LYS

ASP

ILE

MET

GLN

GLU

11

GLN

LEU

ASP

ALA

TYR

LYS

GLN

SER

GLN

GLU

12

PRO

ASP

ALA

SER

PHE

ASP

TYR

ILE

CYS

13

GLN

ALA

LEU

ARG

GLN

LEU

ALA

LEU

GLU

ALA

14

LYS

GLY

GLU

THR

Entity 2, ATP - C10 H16 N5 O13 P3 - 507.181 Da.

1

ATP

Samples:

sample_1: CheA-P1, [U-15N], 100 uM; D2O, [U-2H], 10%; H2O 90%; potassium chloride 75 mM; potassium phosphate 50 mM; magnesium chloride 5 mM; ATP 10 mM

sample_conditions_1: ionic strength: 200 mM; pH: 7.5; pressure: 1 atm; temperature: 295 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N TROSY	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN - collection, processing

CcpNMR - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks

BMRB Entry 53751