BMRB Entry 11063

Name: Backbone 1H, 13C, and 15N Chemical Shift Assignments for KP-PmrD
Published: 2010-01-12

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR11063

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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 KP-PmrD

Deposition date:

2008-12-30

Original release date:

2010-01-12

Authors:

Luo, Shih-Chi

Citation:

Citation: Luo, Shih-Chi; Chen, Chinpan. "Structural characterization of PmrD, which connects the PhoPQ and PmrAB two-component signal-transduction systems" .

Assembly members:

Assembly members:
PmrD, polymer, 89 residues, Formula weight is not available

Natural source:

Natural source: Common Name: Klebsiella pneumoniae Taxonomy ID: 484021 Superkingdom: Bacteria Kingdom: not available Genus/species: Klebsiella pneumoniae

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3) Vector: pET 29b(+)

Entity Sequences (FASTA):

Entity Sequences (FASTA):
PmrD: MEWWVKKVQDNASASLCRVV LQSGALEMIAEIEACRLRLR EGDKLTPLADARYCLNNNPT QTLKIRNATHYSSERWTNAD KLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	330
15N chemical shifts	75
1H chemical shifts	510

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Polymyxin b resistant protein D	1

Entities:

Entity 1, Polymyxin b resistant protein D 89 residues - Formula weight is not available

1

MET

GLU

TRP

VAL

LYS

VAL

GLN

ASP

2

ASN

ALA

SER

ALA

SER

LEU

CYS

ARG

VAL

3

LEU

GLN

SER

GLY

ALA

LEU

GLU

MET

ILE

ALA

4

GLU

ILE

GLU

ALA

CYS

ARG

LEU

ARG

LEU

ARG

5

GLU

GLY

ASP

LYS

LEU

THR

PRO

LEU

ALA

ASP

6

ALA

ARG

TYR

CYS

LEU

ASN

PRO

THR

7

GLN

THR

LEU

LYS

ILE

ARG

ASN

ALA

THR

HIS

8

TYR

SER

GLU

ARG

TRP

THR

ASN

ALA

ASP

9

LYS

LEU

GLU

HIS

Samples:

sample_1: Polymyxin b resistant protein D, [U-95% 13C; U-90% 15N], 0.4 mM; sodium phosphate 50 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker Avance 800 MHz

PDB	2RQX
DBJ	BAH64168
EMBL	CCI77623 CCM84637 CCM87409 CCM96230 CCN30508
GB	ABR77864 AEJ98926 AEW62201 AFQ65083 AGT23550
REF	WP_004141189 WP_004157936 WP_014907299 WP_015874957 WP_023284006