BMRB Entry 17651

Name: Solution Structure of Histidine Phosphotransfer Domain of CheA
Published: 2011-10-12

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PDB ID: 2ld6
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17651
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution Structure of Histidine Phosphotransfer Domain of CheA

Deposition date:

2011-05-16

Original release date:

2011-10-12

Authors:

Vu, Anh; Hamel, Damon; Zhou, Hongjun; Dahlquist, Frederick

Citation:

Citation: Vu, Anh; Hamel, Damon; Zhou, Hongjun; Dahlquist, Frederick. "The structure and dynamic properties of the complete histidine phosphotransfer domain of the chemotaxis specific histidine autokinase CheA from Thermotoga maritima." J. Biomol. NMR 51, 49-55 (2011).
PubMed: 21947914

Assembly members:

Assembly members:
CheA, polymer, 133 residues, 14948.087 Da.

Natural source:

Natural source: Common Name: Thermotoga maritima Taxonomy ID: 2336 Superkingdom: Bacteria Kingdom: not available Genus/species: Thermotoga maritima

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET22b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CheA: MMEEYLGVFVDETKEYLQNL NDTLLELEKNPEDMELINEA FRALHTLKGMAGTMGFSSMA KLCHTLENILDKARNSEIKI TSDLLDKIFAGVDMITRMVD KIVSEGSDDIGENIDVFSDT IKSFASSGKEKLE

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	420
15N chemical shifts	130
1H chemical shifts	869

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CheA	1

Entities:

Entity 1, CheA 133 residues - 14948.087 Da.

1

MET

GLU

TYR

LEU

GLY

VAL

PHE

VAL

2

ASP

GLU

THR

LYS

GLU

TYR

LEU

GLN

ASN

LEU

3

ASN

ASP

THR

LEU

GLU

LEU

GLU

LYS

ASN

4

PRO

GLU

ASP

MET

GLU

LEU

ILE

ASN

GLU

ALA

5

PHE

ARG

ALA

LEU

HIS

THR

LEU

LYS

GLY

MET

6

ALA

GLY

THR

MET

GLY

PHE

SER

MET

ALA

7

LYS

LEU

CYS

HIS

THR

LEU

GLU

ASN

ILE

LEU

8

ASP

LYS

ALA

ARG

ASN

SER

GLU

ILE

LYS

ILE

9

THR

SER

ASP

LEU

ASP

LYS

ILE

PHE

ALA

10

GLY

VAL

ASP

MET

ILE

THR

ARG

MET

VAL

ASP

11

LYS

ILE

VAL

SER

GLU

GLY

SER

ASP

ILE

12

GLY

GLU

ASN

ILE

ASP

VAL

PHE

SER

ASP

THR

13

ILE

LYS

SER

PHE

ALA

SER

GLY

LYS

GLU

14

LYS

LEU

GLU

Samples:

sample_1: H2O 90%; D2O, [U-99% 2H], 10%; P1, [U-99% 13C; U-99% 15N], 1 mM

sample_conditions_1: ionic strength: 0.05 M; pH: 7.4; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
3D C(CO)NH	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
4D 15N,13C NOESY	sample_1	isotropic	sample_conditions_1
4D 13C,13C NOESY	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR v3.851, Brunger - structure solution

ANSIG, Kraulis - data analysis

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

Varian INOVA 600 MHz

PDB	1TQG 2LD6
GB	AAA96387 AAD35784 ABQ46257 ACB08586 ADA66595
REF	NP_228511 WP_004081040 WP_008192691 WP_011942905 WP_012310403
SP	Q56310
AlphaFold	Q56310