BMRB Entry 27061

Name: Backbone assignments of Escherichia coli. holo-Acyl Carrier protein
Published: 2017-03-31

Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR27061

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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: Backbone assignments of Escherichia coli. holo-Acyl Carrier protein

Deposition date: 2017-03-30 Original release date: 2017-03-31

Authors: Marcella, Aaron; Barb, Adam

Citation: Marcella, Aaron; Barb, Adam. "Backbone assignment of E. coli acyl carrier protein" J. Mol. Biol. ., .-..

Assembly members:
holo-Acyl_Carrier_Protein(ACPP), polymer, 79 residues, Formula weight is not available

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

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

Entity Sequences (FASTA):
holo-Acyl_Carrier_Protein(ACPP): MGSTIEERVKKIIGEQLGVK QEEVTNNASFVEDLGADSLD TVELVMALEEEFDTEIPDEE AEKITTVQAAIDYINGHQA

Data sets:

assigned_chemical_shifts
- holo-ACPP_Assignment

Data type	Count
13C chemical shifts	228
15N chemical shifts	77
1H chemical shifts	77

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ACPP	1

Entities:

Entity 1, ACPP 79 residues - Formula weight is not available

1

MET

GLY

SER

THR

ILE

GLU

ARG

VAL

LYS

2

LYS

ILE

GLY

GLU

GLN

LEU

GLY

VAL

LYS

3

GLN

GLU

VAL

THR

ASN

ALA

SER

PHE

4

VAL

GLU

ASP

LEU

GLY

ALA

ASP

SER

LEU

ASP

5

THR

VAL

GLU

LEU

VAL

MET

ALA

LEU

GLU

6

GLU

PHE

ASP

THR

GLU

ILE

PRO

ASP

GLU

7

ALA

GLU

LYS

ILE

THR

VAL

GLN

ALA

8

ILE

ASP

TYR

ILE

ASN

GLY

HIS

GLN

ALA

Samples:

holo-Acyl_Carrier_Protein: D2O, [U-2H], 5%; DSS 1 mM; DTT 1 mM; H2O 95%; sodium chloride 100 mM; MgCl2 10 mM; MOPS 25 mM; holo-Acyl Carrier Protein(ACPP), [U-13C; U-15N], 1.2 mM

sample_conditions_1: ionic strength: 110 mM; pH: 7.1; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	holo-Acyl_Carrier_Protein	isotropic	sample_conditions_1
3D CBCA(CO)NH	holo-Acyl_Carrier_Protein	isotropic	sample_conditions_1
3D CBCANH	holo-Acyl_Carrier_Protein	isotropic	sample_conditions_1

Software:

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

NMRView, Johnson, One Moon Scientific - chemical shift assignment, data analysis, peak picking

NMRDraw, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, processing

NMR spectrometers:

Bruker Avance 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts