BMRB Entry 27768

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for the ShkA kinase Rec1 domain from Caulobacter crescentus
Published: 2019-12-12

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27768

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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, 13C, and 15N Chemical Shift Assignments for the ShkA kinase Rec1 domain from Caulobacter crescentus

Deposition date:

2019-01-30

Original release date:

2019-12-12

Authors:

Boehm, Raphael; Hiller, Sebastian

Citation:

Citation: Boehm, Raphael; Hiller, Sebastian; Kaczmarczyk, Andreas; Hampel, Antje; von Arx, Christoph; Nesper, Jutta; Dubey, Badri; Schirmer, Tilman; Jenal, Urs. "A second-messenger-induced genetic program drives bacterial G1/S transition" .

Assembly members:

Assembly members:
ShkA-Rec1, polymer, 151 residues, 15520 Da.

Natural source:

Natural source: Common Name: Caulobacter crescentus Taxonomy ID: 155892 Superkingdom: Bacteria Kingdom: not available Genus/species: Caulobacter crescentus

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShkA-Rec1: MGSSHHHHHHSSGLVPRGSH MAPLEGRNVAIASPNAIVRA ATARQIEAAGGRAYAAVDIA SALAGAPADAVLLIDAALSG PRGALKPPAGRRSVVLLTPE QRDRIDRLKAAGFSGYLIKP LRAASLVAQVLQAVTADGVA EDEPAHDDRIA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	240
15N chemical shifts	116
1H chemical shifts	116

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Rec1	1

Entities:

Entity 1, Rec1 151 residues - 15520 Da.

Residues 1-21 represent a non-native affinity tag. Residue 22 corresponds to residue number 244 of full-length ShkA.

1

MET

GLY

SER

HIS

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

3

MET

ALA

PRO

LEU

GLU

GLY

ARG

ASN

VAL

ALA

4

ILE

ALA

SER

PRO

ASN

ALA

ILE

VAL

ARG

ALA

5

ALA

THR

ALA

ARG

GLN

ILE

GLU

ALA

GLY

6

GLY

ARG

ALA

TYR

ALA

VAL

ASP

ILE

ALA

7

SER

ALA

LEU

ALA

GLY

ALA

PRO

ALA

ASP

ALA

8

VAL

LEU

ILE

ASP

ALA

LEU

SER

GLY

9

PRO

ARG

GLY

ALA

LEU

LYS

PRO

ALA

GLY

10

ARG

SER

VAL

LEU

THR

PRO

GLU

11

GLN

ARG

ASP

ARG

ILE

ASP

ARG

LEU

LYS

ALA

12

ALA

GLY

PHE

SER

GLY

TYR

LEU

ILE

LYS

PRO

13

LEU

ARG

ALA

SER

LEU

VAL

ALA

GLN

VAL

14

LEU

GLN

ALA

VAL

THR

ALA

ASP

GLY

VAL

ALA

15

GLU

ASP

GLU

PRO

ALA

HIS

ASP

ARG

ILE

16

ALA

Samples:

sample_1: ShkA-Rec1, [U-99% 13C; U-99% 15N], 0.95 mM; TRIS 25 mM; potassium chloride 50 mM; magnesium sulfate 2 mM

sample_conditions_1: ionic strength: 78 mM; pH: 7.2; pressure: 1 atm; temperature: 298.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1

Software:

CARA, Rochus Keller - chemical shift assignment

NMR spectrometers:

Bruker Avance 700 MHz

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