BMRB Entry 25688

Name: Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis
Published: 2015-12-07

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PDB ID: 2n50
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25688
MolProbity Validation Chart

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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: Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis PubMed: 26631734

Deposition date: 2015-07-02 Original release date: 2015-12-07

Authors: Park, Young-Guen; Jung, Min-Cheol; Song, Hee Sang; Jeong, Ki-Woong; Kim, Yangmee

Citation: Park, Young-Guen; Jung, Min-Cheol; Song, Hee Sang; Jeong, Ki-Woong; Bang, Eunjung; Hwang, Geum-Sook; Kim, Yangmee. "Novel Structural Components Contribute to the High Thermal Stability of Acyl Carrier Protein from Enterococcus faecalis" J. Biol. Chem. 291, 1692-1702 (2016).

Assembly members:
entity, polymer, 79 residues, 8707.609 Da.

Natural source: Common Name: firmicutes Taxonomy ID: not available Superkingdom: Bacteria Kingdom: Eubacteria Genus/species: Enterococcus faecalis

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

Entity Sequences (FASTA):
entity: MTREEVLQKVAKIISNHFDI EADQVTDQLNIKDDLNADSI SVMEFVLELEDEFGTEISDE DAEKIETVGAAVDYIVSNS

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	229
15N chemical shifts	78
1H chemical shifts	511

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity	1

Entities:

Entity 1, entity 79 residues - 8707.609 Da.

1

MET

THR

ARG

GLU

VAL

LEU

GLN

LYS

VAL

2

ALA

LYS

ILE

SER

ASN

HIS

PHE

ASP

ILE

3

GLU

ALA

ASP

GLN

VAL

THR

ASP

GLN

LEU

ASN

4

ILE

LYS

ASP

LEU

ASN

ALA

ASP

SER

ILE

5

SER

VAL

MET

GLU

PHE

VAL

LEU

GLU

LEU

GLU

6

ASP

GLU

PHE

GLY

THR

GLU

ILE

SER

ASP

GLU

7

ASP

ALA

GLU

LYS

ILE

GLU

THR

VAL

GLY

ALA

8

ALA

VAL

ASP

TYR

ILE

VAL

SER

ASN

SER

Samples:

efACP-holo: ENTITY, [U-100% 13C; U-100% 15N], mM; MES 25 mM; Cacl2 5 mM; DTT 5 mM; D2O, [U-99% 2H], 10%; H2O 90%

sample_conditions_1: pH: 6.1; pressure: 1 atm; temperature: 25 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	efACP-holo	isotropic	sample_conditions_1
2D 1H-1H NOESY	efACP-holo	isotropic	sample_conditions_1
3D CBCA(CO)NH	efACP-holo	isotropic	sample_conditions_1
3D HNCO	efACP-holo	isotropic	sample_conditions_1
3D HNCACB	efACP-holo	isotropic	sample_conditions_1
3D HCCH-TOCSY	efACP-holo	isotropic	sample_conditions_1
3D 1H-15N NOESY	efACP-holo	isotropic	sample_conditions_1
3D 1H-13C NOESY	efACP-holo	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker Avance 800 MHz

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