BMRB Entry 17944

Name: 13C, 15N Chemical shifts of the C-terminal fragment of E. coli thioredoxin reassembly using solid-state NMR spectroscopy
Published: 2011-10-28

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17944

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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:

13C, 15N Chemical shifts of the C-terminal fragment of E. coli thioredoxin reassembly using solid-state NMR spectroscopy

Deposition date:

2011-09-15

Original release date:

2011-10-28

Authors:

Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, Marcela; Arriaran, Vilma; Polenova, Tatyana

Citation:

Citation: Marulanda, Dabeiba; Tasayco, Maria; McDermott, Ann; Cataldi, M.; Arriaran, V.; Polenova, Tatyana. "Magic angle spinning solid-state NMR spectroscopy for structural studies of protein interfaces. resonance assignments of differentially enriched Escherichia coli thioredoxin reassembled by fragment complementation." J. Am. Chem. Soc. 126, 16608-16620 (2004).
PubMed: 15600367

Assembly members:

Assembly members:
C-terminal_of_Trx_reassembly, polymer, 35 residues, Formula weight is not available

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: pTK100

Entity Sequences (FASTA):

Entity Sequences (FASTA):
C-terminal_of_Trx_reassembly: GIPTLLLFKNGEVAATKVGA LSKGQLKEFLDANLA

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	152
15N chemical shifts	34

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	C-terminal fragment	1

Entities:

Entity 1, C-terminal fragment 35 residues - Formula weight is not available

1

GLY

ILE

PRO

THR

LEU

PHE

LYS

ASN

2

GLY

GLU

VAL

ALA

THR

LYS

VAL

GLY

ALA

3

LEU

SER

LYS

GLY

GLN

LEU

LYS

GLU

PHE

LEU

4

ASP

ALA

ASN

LEU

ALA

Samples:

sample_1: C-terminal of Trx reassembly, [U-100% 13C; U-100% 15N], PEG precipitate mg

sample_conditions_1: ionic strength: 10 mM; pH: 3.5; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 13C-13C DARR	sample_1	solid	sample_conditions_1
2D 15N-13C NCA	sample_1	solid	sample_conditions_1
2D 15N-13C NCO	sample_1	solid	sample_conditions_1
2D 15N-13C NCACX	sample_1	solid	sample_conditions_1
2D 15N-13C NCOCX	sample_1	solid	sample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax, Goddard - chemical shift assignment, processing

NMR spectrometers:

Bruker Avance 750 MHz

BMRB	17700 1812 1813
PDB	1F6M 1KEB 1M7T 1OAZ 1SKR 1SKS 1SKW 1SL0 1SL1 1SL2 1SRX 1T7P 1T8E 1THO 1TK0 1TK5 1TK8 1TKD 1TXX 1X9M 1X9S 1X9W 1XOA 1XOB 1ZCP 1ZYQ 1ZZY 2AJQ 2BTO 2EIO 2EIQ 2FCH 2FD3 2H6X 2H6Y 2H6Z 2H70 2H71 2H72 2H73 2H74 2H75 2H76 2O8V 2TIR 2TRX 3DXB 3DYR 4HU7 4HU9 4HUA 4KCA 4KCB 4X43
DBJ	BAA00903 BAB38137 BAE77517 BAG79587 BAH61053
EMBL	CAA79851 CAD09400 CAG77109 CAO95241 CAP78228
GB	AAA24533 AAA24534 AAA24693 AAA24694 AAA24696
PIR	AF0922 B91218 C86064
REF	NP_312741 NP_418228 NP_457831 NP_462806 NP_709584
SP	P0AA25 P0AA26 P0AA27 P0AA28 P0AA29
AlphaFold	P0AA25 P0AA26 P0AA27 P0AA28 P0AA29