BMRB Entry 26532

Name: Assignment of the BeF3-activated PmrA response regulator from Klebsiella pneumoniae
Published: 2015-11-12

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26532

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Assignment of the BeF3-activated PmrA response regulator from Klebsiella pneumoniae PubMed: 26564787

Deposition date: 2015-03-09 Original release date: 2015-11-12

Authors: Lou, Yuan-Chao; Kao, Yi-Fen; Chen, Chinpan

Citation: Lou, Yuan-Chao; Weng, Tsai-Hsuan; Li, Yi-Chuan; Kao, Yi-Fen; Chou, Shan-Ho; Hsiao, Chwan-Deng; Chen, Chinpan. "Structure and dynamics of polymyxin-resistance-associated response regulator PmrA in complex with promoter DNA" Nat. Commun. 6, 8838-8838 (2015).

Assembly members:
PmrA, polymer, 231 residues, Formula weight is not available
BERYLLIUM TRIFLUORIDE ION, non-polymer, 66.007 Da.

Natural source: Common Name: enterobacteria Taxonomy ID: 573 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella pneumoniae

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet29b

Entity Sequences (FASTA):
PmrA: MKILVIEDDALLLQGLILAM QSEGYVCDGVSTAHEAALSL ASNHYSLIVLDLGLPDEDGL HFLSRMRREKMTQPVLILTA RDTLEDRISGLDTGADDYLV KPFALEELNARIRALLRRHN NQGDNEISVGNLRLNVTRRL VWLGETALDLTPKEYALLSR LMMKAGSPVHREILYNDIYS GDNEPATNTLEVHIHNLREK IGKSRIRTVRGFGYMLANND DTELEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	684
15N chemical shifts	193
1H chemical shifts	499

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	subunit 1	1
2	subunit 2	1
3	BeF3	2

Entities:

Entity 1, subunit 1 231 residues - Formula weight is not available

1

MET

LYS

ILE

LEU

VAL

ILE

GLU

ASP

ALA

2

LEU

GLN

GLY

LEU

ILE

LEU

ALA

MET

3

GLN

SER

GLU

GLY

TYR

VAL

CYS

ASP

GLY

VAL

4

SER

THR

ALA

HIS

GLU

ALA

LEU

SER

LEU

5

ALA

SER

ASN

HIS

TYR

SER

LEU

ILE

VAL

LEU

6

ASP

LEU

GLY

LEU

PRO

ASP

GLU

ASP

GLY

LEU

7

HIS

PHE

LEU

SER

ARG

MET

ARG

GLU

LYS

8

MET

THR

GLN

PRO

VAL

LEU

ILE

LEU

THR

ALA

9

ARG

ASP

THR

LEU

GLU

ASP

ARG

ILE

SER

GLY

10

LEU

ASP

THR

GLY

ALA

ASP

TYR

LEU

VAL

11

LYS

PRO

PHE

ALA

LEU

GLU

LEU

ASN

ALA

12

ARG

ILE

ARG

ALA

LEU

ARG

HIS

ASN

13

ASN

GLN

GLY

ASP

ASN

GLU

ILE

SER

VAL

GLY

14

ASN

LEU

ARG

LEU

ASN

VAL

THR

ARG

LEU

15

VAL

TRP

LEU

GLY

GLU

THR

ALA

LEU

ASP

LEU

16

THR

PRO

LYS

GLU

TYR

ALA

LEU

SER

ARG

17

LEU

MET

LYS

ALA

GLY

SER

PRO

VAL

HIS

18

ARG

GLU

ILE

LEU

TYR

ASN

ASP

ILE

TYR

SER

19

GLY

ASP

ASN

GLU

PRO

ALA

THR

ASN

THR

LEU

20

GLU

VAL

HIS

ILE

HIS

ASN

LEU

ARG

GLU

LYS

21

ILE

GLY

LYS

SER

ARG

ILE

ARG

THR

VAL

ARG

22

GLY

PHE

GLY

TYR

MET

LEU

ALA

ASN

ASP

23

ASP

THR

GLU

LEU

GLU

HIS

24

HIS

Entity 2, BeF3 - Be F3 - 66.007 Da.

1

BEF

Samples:

sample_1: PmrA, [U-99% 13C; U-99% 15N; U-95% 2H]], 0.5 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.22 M; pH: 8.0; pressure: 1 atm; temperature: 310 K

Experiments:

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

Software:

TOPSPIN, Bruker Biospin - collection

NMRView, Johnson, One Moon Scientific - chemical shift assignment

NMR spectrometers:

Bruker Avance 850 MHz

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