BMRB Entry 6271

Name: 1H, 13C and 15N assignments of the ligand binding domain of LasR
Published: 2007-08-24

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR6271

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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:

1H, 13C and 15N assignments of the ligand binding domain of LasR

Deposition date:

2004-07-23

Original release date:

2007-08-24

Authors:

Bottomley, Matthew; Muraglia, Ester; Bazzo, Renzo

Citation:

Citation: Bottomley, Matthew; Muraglia, E.; Bazzo, R.; Carf????, A.. "Molecular insights into quorum sensing in the human pathogen Pseudomonas aeruginosa from the structure of the virulence regulator LasR bound to its autoinducer" J. Biol. Chem. 282, 13592-13600 (2007).
PubMed: 17363368

Assembly members:

Assembly members:
LasR Ligand binding domain, polymer, 173 residues, 20500 Da.
OHN, non-polymer, 297.390 Da.

Natural source:

Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
LasR Ligand binding domain: MALVDGFLELERSSGKLEWS AILQKMASDLGFSKILFGLL PKDSQDYENAFIVGNYPAAW REHYDRAGYARVDPTVSHCT QSVLPIFWEPSIYQTRKQHE FFEEASAAGLVYGLTMPLHG ARGELGALSLSVEAENRAEA NRFMESVLPTLWMLKDYALQ SGAGLAFEHPVSK

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
13C chemical shifts	499
15N chemical shifts	159
1H chemical shifts	159

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	LasR-LBD dimer	1
2	3-oxo-c12-homoserine lactone	2

Entities:

Entity 1, LasR-LBD dimer 173 residues - 20500 Da.

1

MET

ALA

LEU

VAL

ASP

GLY

PHE

LEU

GLU

LEU

2

GLU

ARG

SER

GLY

LYS

LEU

GLU

TRP

SER

3

ALA

ILE

LEU

GLN

LYS

MET

ALA

SER

ASP

LEU

4

GLY

PHE

SER

LYS

ILE

LEU

PHE

GLY

LEU

5

PRO

LYS

ASP

SER

GLN

ASP

TYR

GLU

ASN

ALA

6

PHE

ILE

VAL

GLY

ASN

TYR

PRO

ALA

TRP

7

ARG

GLU

HIS

TYR

ASP

ARG

ALA

GLY

TYR

ALA

8

ARG

VAL

ASP

PRO

THR

VAL

SER

HIS

CYS

THR

9

GLN

SER

VAL

LEU

PRO

ILE

PHE

TRP

GLU

PRO

10

SER

ILE

TYR

GLN

THR

ARG

LYS

GLN

HIS

GLU

11

PHE

GLU

ALA

SER

ALA

GLY

LEU

12

VAL

TYR

GLY

LEU

THR

MET

PRO

LEU

HIS

GLY

13

ALA

ARG

GLY

GLU

LEU

GLY

ALA

LEU

SER

LEU

14

SER

VAL

GLU

ALA

GLU

ASN

ARG

ALA

GLU

ALA

15

ASN

ARG

PHE

MET

GLU

SER

VAL

LEU

PRO

THR

16

LEU

TRP

MET

LEU

LYS

ASP

TYR

ALA

LEU

GLN

17

SER

GLY

ALA

GLY

LEU

ALA

PHE

GLU

HIS

PRO

18

VAL

SER

LYS

Entity 2, 3-oxo-c12-homoserine lactone - C16 H27 N O4 - 297.390 Da.

1

OHN

Samples:

sample_1: LasR Ligand binding domain, [U-2H; U-13C; U-15N], 1.5 mM; 3-oxododecanoic acid homoserine lactone 1.8 mM; sodium phosphate 40 mM; sodium chloride 0.15 M

sample_cond_1: ionic strength: 0.14 M; pH: 6.4; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
not available	sample_1	not available	sample_cond_1

Software:

No software information available

NMR spectrometers:

unknown unknown 0 MHz

PDB	2UV0 3IX3 3IX4 3IX8 3JPU 4NG2
DBJ	BAA06489 BAA06490 BAP24227 BAP51814 GAA16961
EMBL	CAW28738 CCQ87458 CDH72122 CDH78244 CDI89583
GB	AAA25874 AAG04819 AAT50467 ABJ10611 ABR86383
REF	NP_250121 WP_003082999 WP_003100458 WP_003133239 WP_010792033
SP	P25084
AlphaFold	P25084