BMRB Entry 19286

Name: NMR Structure of BeF3 Activated Sma0114
Published: 2014-01-27

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PDB ID: 2m98
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19286
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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 Structure of BeF3 Activated Sma0114

Deposition date:

2013-06-04

Original release date:

2014-01-27

Authors:

Sheftic, Sarah; Gage, Daniel; Alexandrescu, Andrei

Citation:

Citation: Sheftic, Sarah; Gage, Daniel; Alexandrescu, Andrei. "NMR Structure of the HWE Kinase Associated Response Regulator Sma0114 in Its Activated State" Biochemistry 53, 311-322 (2014).
PubMed: 24364624

Assembly members:

Assembly members:
entity_1, polymer, 123 residues, 13606.619 Da.
entity_CA, non-polymer, 40.078 Da.
entity_BEF, non-polymer, 66.007 Da.

Natural source:

Natural source: Common Name: Sinorhizobium meliloti Taxonomy ID: 382 Superkingdom: Bacteria Kingdom: not available Genus/species: Sinorhizobium meliloti

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pet-28+

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSHMTERRLRVLVVEDESMI AMLIEDTLCELGHEVAATAS RMQEALDIARKGQFDIAIID VNLDGEPSYPVADILAERNV PFIFATGYGSKGLDTRYSNI PLLTKPFLDSELEAVLVQIS KEV

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	71
15N chemical shifts	103
1H chemical shifts	250

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Two-component response regulator	1
2	CALCIUM ION	2
3	BERYLLIUM TRIFLUORIDE ION	3

Entities:

Entity 1, Two-component response regulator 123 residues - 13606.619 Da.

1

GLY

SER

HIS

MET

THR

GLU

ARG

LEU

ARG

2

VAL

LEU

VAL

GLU

ASP

GLU

SER

MET

ILE

3

ALA

MET

LEU

ILE

GLU

ASP

THR

LEU

CYS

GLU

4

LEU

GLY

HIS

GLU

VAL

ALA

THR

ALA

SER

5

ARG

MET

GLN

GLU

ALA

LEU

ASP

ILE

ALA

ARG

6

LYS

GLY

GLN

PHE

ASP

ILE

ALA

ILE

ASP

7

VAL

ASN

LEU

ASP

GLY

GLU

PRO

SER

TYR

PRO

8

VAL

ALA

ASP

ILE

LEU

ALA

GLU

ARG

ASN

VAL

9

PRO

PHE

ILE

PHE

ALA

THR

GLY

TYR

GLY

SER

10

LYS

GLY

LEU

ASP

THR

ARG

TYR

SER

ASN

ILE

11

PRO

LEU

THR

LYS

PRO

PHE

LEU

ASP

SER

12

GLU

LEU

GLU

ALA

VAL

LEU

VAL

GLN

ILE

SER

13

LYS

GLU

VAL

Entity 2, CALCIUM ION - Ca - 40.078 Da.

1

CA

Entity 3, BERYLLIUM TRIFLUORIDE ION - Be F3 - 66.007 Da.

1

BEF

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_2	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

BMRB	16905
PDB	2LPM 2M98
EMBL	CCM71308 CDH82688
GB	AAK64716 AEG06710 AEG57042 AEH82764 AGG69741
REF	NP_435304 WP_010967059 WP_033048070 WP_046066705

BMRB Entry 19286

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

Software:

NMR spectrometers:

Related Database Links: