BMRB Entry 19367

Name: Solution structure of the complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA
Published: 2014-02-10

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PDB ID: 2map
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19367
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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:

Solution structure of the complex formed by the region 2 of E. coli sigmaE and its cognate -10 non template element TGTCAAA

Deposition date:

2013-07-16

Original release date:

2014-02-10

Authors:

Campagne, Sebastien; Vorholt, Julia; Allain, Frederic

Citation:

Citation: Campagne, Sebastien; Marsh, May; Capitani, Guido; Vorholt, Julia; Allain, Frederic H-T. "Structural basis for -10 promoter element melting by environmentally induced sigma factors." Nat. Struct. Mol. Biol. 21, 269-276 (2014).
PubMed: 24531660

Assembly members:

Assembly members:
entity_1, polymer, 96 residues, 11024.694 Da.
entity_2, polymer, 7 residues, 11024.694 Da.

Natural source:

Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET26BII

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MSEQLTDQVLVERVQKGDQK AFNLLVVRYQHKVASLVSRY VPSGDVPDVVQEAFIKAYRA LDSFRGDSAFYTWLYRIAVN TAKNYLVAQGRRLELV
entity_2: TGTCAAA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	317
15N chemical shifts	103
1H chemical shifts	684

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	region 2 of E. coli sigmaE	1
2	non template strand	2

Entities:

Entity 1, region 2 of E. coli sigmaE 96 residues - 11024.694 Da.

1

MET

SER

GLU

GLN

LEU

THR

ASP

GLN

VAL

LEU

2

VAL

GLU

ARG

VAL

GLN

LYS

GLY

ASP

GLN

LYS

3

ALA

PHE

ASN

LEU

VAL

ARG

TYR

GLN

4

HIS

LYS

VAL

ALA

SER

LEU

VAL

SER

ARG

TYR

5

VAL

PRO

SER

GLY

ASP

VAL

PRO

ASP

VAL

6

GLN

GLU

ALA

PHE

ILE

LYS

ALA

TYR

ARG

ALA

7

LEU

ASP

SER

PHE

ARG

GLY

ASP

SER

ALA

PHE

8

TYR

THR

TRP

LEU

TYR

ARG

ILE

ALA

VAL

ASN

9

THR

ALA

LYS

ASN

TYR

LEU

VAL

ALA

GLN

GLY

10

ARG

LEU

GLU

LEU

VAL

Entity 2, non template strand 7 residues - 11024.694 Da.

1

DT

DG

DT

DC

DA

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 0.8 mM; entity_2 0.8 mM; H2O 90%; D2O 10%; NaPO4 10 mM; NaCl 50 mM

sample_2: entity_1, [U-100% 13C; U-100% 15N], 0.8 mM; entity_2 0.8 mM; D2O 100%; NaPO4 10 mM; NaCl 50 mM

sample_conditions_1: ionic strength: 0.07 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D HCCH-TOCSY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
2D NOESY 1H-1H F1F2F	sample_2	isotropic	sample_conditions_1
2D NOESY 1H-1H F2F	sample_2	isotropic	sample_conditions_1

Software:

TOPSPIN v3.0, Bruker Biospin - collection

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CARA, Keller and Wuthrich - chemical shift assignment, data analysis

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 700 MHz
Bruker Avance 900 MHz

BMRB	19366
PDB	1OR7 2MAO 2MAP 4LUP
DBJ	BAA10920 BAB36862 BAE76749 BAG78385 BAI26818
EMBL	CAD02789 CAP77019 CAQ32948 CAQ88049 CAQ99523
GB	AAA57186 AAC45314 AAC75626 AAG57689 AAL21534
PIR	AI0829
REF	NP_311466 NP_417068 NP_457116 NP_461575 NP_708425
SP	D0ZSY9 P0A2F0 P0A2F1 P0AGB6 P0AGB7
AlphaFold	D0ZSY9 P0A2F0 P0A2F1 P0AGB6 P0AGB7