BMRB Entry 27570

Name: Chemical shift assignment of wild-type E.coli diacylglycerol kinase (DGK) by solid-state NMR
Published: 2019-02-26

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR27570

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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:

Chemical shift assignment of wild-type E.coli diacylglycerol kinase (DGK) by solid-state NMR

Deposition date:

2018-08-06

Original release date:

2019-02-26

Authors:

Moebius, Kristin; Kazemi, Sina; Guentert, Peter; Jakob, Andreas; Heckel, Alexander; Becker-Baldus, Johanna; Glaubitz, Clemens

Citation:

Citation: Moebius, Kristin; Kazemi, Sina; Guentert, Peter; Jakob, Andreas; Becker-Baldus, Johanna; Glaubitz, Clemens. "Global response of wild-type E.coli diacylglycerol kinase towards nucleotide and lipid substrate binding observed by 3D and 2D MAS NMR" Sci. Rep. 9, 3995-3995 (2019).
PubMed: 30850624

Assembly members:

Assembly members:
DGK, polymer, 131 residues, Formula weight is not available

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: pSD005

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DGK: MGHHHHHHELANNTTGFTRI IKAAGYSWKGLRAAWINEAA FRQEGVAVLLAVVIACWLDV DAITRVLLISSVMLVMIVEI LNSAIEAVVDRIGSEYHELS GRAKDMGSAAVLIAIIVAVI TWCILLWSHFG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	418
15N chemical shifts	112
1H chemical shifts	5

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DGK, chain 1	1
2	DGK, chain 2	1
3	DGK, chain 3	1

Entities:

Entity 1, DGK, chain 1 131 residues - Formula weight is not available

1

MET

GLY

HIS

GLU

LEU

2

ALA

ASN

THR

GLY

PHE

THR

ARG

ILE

3

ILE

LYS

ALA

GLY

TYR

SER

TRP

LYS

GLY

4

LEU

ARG

ALA

TRP

ILE

ASN

GLU

ALA

5

PHE

ARG

GLN

GLU

GLY

VAL

ALA

VAL

LEU

6

ALA

VAL

ILE

ALA

CYS

TRP

LEU

ASP

VAL

7

ASP

ALA

ILE

THR

ARG

VAL

LEU

ILE

SER

8

SER

VAL

MET

LEU

VAL

MET

ILE

VAL

GLU

ILE

9

LEU

ASN

SER

ALA

ILE

GLU

ALA

VAL

ASP

10

ARG

ILE

GLY

SER

GLU

TYR

HIS

GLU

LEU

SER

11

GLY

ARG

ALA

LYS

ASP

MET

GLY

SER

ALA

12

VAL

LEU

ILE

ALA

ILE

VAL

ALA

VAL

ILE

13

THR

TRP

CYS

ILE

LEU

TRP

SER

HIS

PHE

14

GLY

Samples:

sample_1: DGK, [U-13C; U-15N], mM

sample_2: DGK, [U-13C; U-15N]; [U-12C; U-14N]-Ile,Leu,Val, mM

sample_conditions_1: pH: 7.2; temperature: 275 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D NCACX	sample_1	solid	sample_conditions_1
3D NCOCX	sample_1	solid	sample_conditions_1
3D CONCA	sample_1	solid	sample_conditions_1
3D NCACX	sample_2	solid	sample_conditions_1
3D NCOCX	sample_2	solid	sample_conditions_1
3D CONCA	sample_2	solid	sample_conditions_1
2D 13C-13C TOBSY	sample_1	solid	sample_conditions_1
2D 1H-13C HETCOR	sample_1	solid	sample_conditions_1
2D 1H-15N HETCOR	sample_1	solid	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection, processing

ssFLYA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment

CCPN, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Bruker Avance 850 MHz