BMRB Entry 18395

Name: Chemical shift assignments of deuterated DsbB by 1H-detected solid-state NMR
Published: 2012-09-24

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18395

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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:

Chemical shift assignments of deuterated DsbB by 1H-detected solid-state NMR

Deposition date:

2012-04-13

Original release date:

2012-09-24

Authors:

Zhou, Donghua; Nieuwkoop, Andrew; Berthold, Deborah; Comellas, Gemma; Sperling, Lindsay; Tang, Ming; Shah, Gautam; Brea, Elliot; Lemkau, Luisel; Rienstra, Chad

Citation:

Citation: Zhou, Donghua; Nieuwkoop, Andrew; Berthold, Deborah; Comellas, Gemma; Sperling, Lindsay; Tang, Ming; Shah, Gautam; Brea, Elliott; Lemkau, Luisel; Rienstra, Chad. "Solid-state NMR analysis of membrane proteins and protein aggregates by proton detected spectroscopy." J. Biomol. NMR 54, 291-305 (2012).
PubMed: 22986689

Assembly members:

Assembly members:
DsbB, polymer, 176 residues, 15287.664 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: pQE70

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DsbB: MLRFLNQASQGRGAWLLMAF TALALELTALWFQHVMLLKP CVLCIYERVALFGVLGAALI GAIAPKTPLRYVAMVIWLYS AFRGVQLTYEHTMLQLYPSP FATCDFMVRFPEWLPLDKWV PQVFVASGDCAERQWDFLGL EMPQWLLGIFIAYLIVAVLV VISQPFKAKKRDLFGR

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_DsbA

Data type	Count
13C chemical shifts	132
15N chemical shifts	67
1H chemical shifts	67

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
Hide all

Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	DsbB	1

Entities:

Entity 1, DsbB 176 residues - 15287.664 Da.

1

MET

LEU

ARG

PHE

LEU

ASN

GLN

ALA

SER

GLN

2

GLY

ARG

GLY

ALA

TRP

LEU

MET

ALA

PHE

3

THR

ALA

LEU

ALA

LEU

GLU

LEU

THR

ALA

LEU

4

TRP

PHE

GLN

HIS

VAL

MET

LEU

LYS

PRO

5

CYS

VAL

LEU

CYS

ILE

TYR

GLU

ARG

VAL

ALA

6

LEU

PHE

GLY

VAL

LEU

GLY

ALA

LEU

ILE

7

GLY

ALA

ILE

ALA

PRO

LYS

THR

PRO

LEU

ARG

8

TYR

VAL

ALA

MET

VAL

ILE

TRP

LEU

TYR

SER

9

ALA

PHE

ARG

GLY

VAL

GLN

LEU

THR

TYR

GLU

10

HIS

THR

MET

LEU

GLN

LEU

TYR

PRO

SER

PRO

11

PHE

ALA

THR

CYS

ASP

PHE

MET

VAL

ARG

PHE

12

PRO

GLU

TRP

LEU

PRO

LEU

ASP

LYS

TRP

VAL

13

PRO

GLN

VAL

PHE

VAL

ALA

SER

GLY

ASP

CYS

14

ALA

GLU

ARG

GLN

TRP

ASP

PHE

LEU

GLY

LEU

15

GLU

MET

PRO

GLN

TRP

LEU

GLY

ILE

PHE

16

ILE

ALA

TYR

LEU

ILE

VAL

ALA

VAL

LEU

VAL

17

VAL

ILE

SER

GLN

PRO

PHE

LYS

ALA

LYS

18

ARG

ASP

LEU

PHE

GLY

ARG

Samples:

sample_1: DsbB, [U-100% 13C; U-100% 15N; U-80% 2H], 3 mg

sample_conditions_1: pH: 7.0; pressure: 1 atm; temperature: 248 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D CANH	sample_1	isotropic	sample_conditions_1
3D CONH	sample_1	isotropic	sample_conditions_1

Software:

SPARKY, Goddard - chemical shift assignment

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

VNMRJ, Varian - collection

NMR spectrometers:

Varian INOVA 750 MHz

BMRB	15546 15966 18493
PDB	2HI7 2K73 2K74 2LEG 2LTQ 2ZUP 2ZUQ 3E9J
DBJ	BAA07408 BAA36032 BAB35103 BAG76757 BAI24997
EMBL	CAP75720 CAQ31687 CAQ98064 CAR02574 CAR07527
GB	AAA23711 AAB25233 AAC74269 AAG56036 AAN42789
PIR	H85696
REF	NP_309707 NP_415703 NP_707082 WP_000652474 WP_000943441
SP	A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6
AlphaFold	A1AAA8 P0A6M2 P0A6M3 P59343 Q0T5L6