BMRB Entry 25522

Name: NMR structure of Neuromedin C in 40% TFE
Published: 2015-10-12

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PDB ID: 2n0e
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25522
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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:

NMR structure of Neuromedin C in 40% TFE

Deposition date:

2015-03-05

Original release date:

2015-10-12

Authors:

Adrover, Miquel; Sanchis, Pilar; Vilanova, Bartolome; Pauwels, Kris; Martorell, Gabriel; Perez, Juan Jesus

Citation:

Citation: Adrover, Miquel; Sanchis, Pilar; Vilanova, Bartolome; Pauwels, Kris; Martorell, Gabriel; Perez, J.. "Conformational ensembles of neuromedin C reveal a progressive coil-helix transition within a binding-induced folding mechanism" RSC ADV 5, 83074-83088 (2015).

Assembly members:

Assembly members:
Neuromedin_C, polymer, 11 residues, 1123.295 Da.

Natural source:

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source:

Experimental source: Production method: obtained from a vendor

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Neuromedin_C: GNHWAVGHLMX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	33
15N chemical shifts	11
1H chemical shifts	68

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 11 residues - 1123.295 Da.

1

GLY

ASN

HIS

TRP

ALA

VAL

GLY

HIS

LEU

MET

2

NH2

Samples:

sample_1: entity 5.0 ± 0.1 mM; sodium acetate 10 ± 0.1 mM; DSS 1.6 ± 0.1 mM; TFE, [U-99% 2H], 40 ± 0.5 %; D2O, [U-100% 2H], 10 ± 1 %

sample_conditions_1: ionic strength: 0.01 M; pH: 4.0; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_1	isotropic	sample_conditions_1

Software:

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

XEASY, Bartels et al. - chemical shift assignment, peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - geometry optimization, refinement, structure solution

NMR spectrometers:

Bruker Avance 600 MHz

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