BMRB Entry 27453

Name: NMR resonance assignments for an Legionella pneumophila ProQ-homolog
Published: 2018-09-18

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27453

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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: NMR resonance assignments for an Legionella pneumophila ProQ-homolog PubMed: 29934867

Deposition date: 2018-04-16 Original release date: 2018-09-18

Authors: Immer, Carina; Hacker, Carolin; Woehnert, Jens

Citation: Immer, Carina; Hacker, Carolin; Woehnert, Jens. "NMR resonance assignments for a ProQ homolog from Legionella pneumophila" Biomol. NMR Assignments 12, 319-322 (2018).

Assembly members:
Lpp1663, polymer, 122 residues, 14151 Da.

Natural source: Common Name: Legionella pneumophila Taxonomy ID: 446 Superkingdom: Bacteria Kingdom: not available Genus/species: Legionella pneumophila

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

Entity Sequences (FASTA):
Lpp1663: GSNQQLNATKKDKLQVIDWL IENFPNAFFKKGNQVKPLKI GIFDDLIDFYERLDTPPFSK KSLREALSYYSASPAYLSCQ KPDTARVDIYGNEVDVVTPE QAKYAYQRYQERYGNKKSQD LK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	530
15N chemical shifts	121
1H chemical shifts	820

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Lpp1663	1

Entities:

Entity 1, Lpp1663 122 residues - 14151 Da.

1

GLY

SER

ASN

GLN

LEU

ASN

ALA

THR

LYS

2

LYS

ASP

LYS

LEU

GLN

VAL

ILE

ASP

TRP

LEU

3

ILE

GLU

ASN

PHE

PRO

ASN

ALA

PHE

LYS

4

LYS

GLY

ASN

GLN

VAL

LYS

PRO

LEU

LYS

ILE

5

GLY

ILE

PHE

ASP

LEU

ILE

ASP

PHE

TYR

6

GLU

ARG

LEU

ASP

THR

PRO

PHE

SER

LYS

7

LYS

SER

LEU

ARG

GLU

ALA

LEU

SER

TYR

8

SER

ALA

SER

PRO

ALA

TYR

LEU

SER

CYS

GLN

9

LYS

PRO

ASP

THR

ALA

ARG

VAL

ASP

ILE

TYR

10

GLY

ASN

GLU

VAL

ASP

VAL

THR

PRO

GLU

11

GLN

ALA

LYS

TYR

ALA

TYR

GLN

ARG

TYR

GLN

12

GLU

ARG

TYR

GLY

ASN

LYS

SER

GLN

ASP

13

LEU

LYS

Samples:

15N: Lpp1663, [U-15N], 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

13C15N: Lpp1663, [U-13C; U-15N], 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Lys: Lpp1663, [U-15N]-Lys, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Tyr: Lpp1663, [U-15N]-Tyr, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

15N_Phe_13C_Pro: Lpp1663, [U-15N]-Phe [U-13C]-Pro, 400 uM; sodium phosphate 50 mM; sodium chloride 100 mM; D2O 10%; DSS 50 uM; beta-mercaptoethanol 2 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	13C15N	isotropic	sample_conditions_1
3D HNCO	13C15N	isotropic	sample_conditions_1
3D HCACO	13C15N	isotropic	sample_conditions_1
3D HNCACB	13C15N	isotropic	sample_conditions_1
3D HBHA(CO)NH	13C15N	isotropic	sample_conditions_1
3D HCCH-TOCSY	13C15N	isotropic	sample_conditions_1
3D H(CCO)NH	13C15N	isotropic	sample_conditions_1
3D C(CO)NH	13C15N	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	13C15N	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	13C15N	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	13C15N	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_Lys	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_Tyr	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N_Phe_13C_Pro	isotropic	sample_conditions_1
2D 1H-13C HSQC	15N_Phe_13C_Pro	isotropic	sample_conditions_1

Software:

TOPSPIN v3.2, Bruker Biospin - processing

CARA, Keller and Wuthrich - chemical shift assignment

NMR spectrometers:

Bruker Avance 600 MHz
Bruker Avance 700 MHz
Bruker Avance 800 MHz

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