BMRB Entry 16780

Name: 1H, 15N, 13C resonance assignments for CobR
Published: 2014-03-04

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16780

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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, 15N, 13C resonance assignments for CobR

Deposition date:

2010-03-19

Original release date:

2014-03-04

Authors:

Lawrence, Andrew; Taylor, Samantha; Howard, Mark; Warren, Martin

Citation:

Citation: Lawrence, Andrew; Taylor, Samantha; Scott, Alan; Pickersgill, Richard; Howard, Mark; Warren, Martin. "Biophysical characterisation of CobR" .

Assembly members:

Assembly members:
CobR, polymer, 173 residues, Formula weight is not available
FAD, non-polymer, 785.550 Da.

Natural source:

Natural source: Common Name: Brucella melitensis Taxonomy ID: 29459 Superkingdom: Bacteria Kingdom: not available Genus/species: Brucella melitensis

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET-14b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CobR: MQTVNNIISSVSTVESKAYR DAMSHYAGAVQIVTTAGAAG RRGLTLTAACSVSDNPPTIL ICLQKIHEENRIFIENGVFA INTLAGPHQQLADAFSGRIG LTQDERFELAAWEILATGAP VLKGALAAFDCRVVSVQDHS THHVLFGEVVGLSSHAEEEA LIYLNRRYHKLEL

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	467
15N chemical shifts	158
1H chemical shifts	268

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	CobR	1
2	FAD	2

Entities:

Entity 1, CobR 173 residues - Formula weight is not available

1

MET

GLN

THR

VAL

ASN

ILE

SER

2

VAL

SER

THR

VAL

GLU

SER

LYS

ALA

TYR

ARG

3

ASP

ALA

MET

SER

HIS

TYR

ALA

GLY

ALA

VAL

4

GLN

ILE

VAL

THR

ALA

GLY

ALA

GLY

5

ARG

GLY

LEU

THR

LEU

THR

ALA

CYS

6

SER

VAL

SER

ASP

ASN

PRO

THR

ILE

LEU

7

ILE

CYS

LEU

GLN

LYS

ILE

HIS

GLU

ASN

8

ARG

ILE

PHE

ILE

GLU

ASN

GLY

VAL

PHE

ALA

9

ILE

ASN

THR

LEU

ALA

GLY

PRO

HIS

GLN

10

LEU

ALA

ASP

ALA

PHE

SER

GLY

ARG

ILE

GLY

11

LEU

THR

GLN

ASP

GLU

ARG

PHE

GLU

LEU

ALA

12

ALA

TRP

GLU

ILE

LEU

ALA

THR

GLY

ALA

PRO

13

VAL

LEU

LYS

GLY

ALA

LEU

ALA

PHE

ASP

14

CYS

ARG

VAL

SER

VAL

GLN

ASP

HIS

SER

15

THR

HIS

VAL

LEU

PHE

GLY

GLU

VAL

16

GLY

LEU

SER

HIS

ALA

GLU

ALA

17

LEU

ILE

TYR

LEU

ASN

ARG

TYR

HIS

LYS

18

LEU

GLU

LEU

Entity 2, FAD - C27 H33 N9 O15 P2 - 785.550 Da.

1

FAD

Samples:

sample_1: CobR, [U-99% 13C; U-99% 15N], 1 mM; potassium phosphate 20 mM; sodium chloride 100 mM; FAD 1.2 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 333 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	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 HNCACB	sample_1	isotropic	sample_conditions_1

Software:

VNMR, Varian - collection

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

Analysis, CCPN - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

Varian INOVA 600 MHz

UNP	Q8YHT7
AlphaFold	D0B8X4