BMRB Entry 19527

Name: NMR solution structure of the GS-TAMAPIN MUTATION R13A.
Published: 2014-05-27

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PDB ID: 2men
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19527
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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 solution structure of the GS-TAMAPIN MUTATION R13A.

Deposition date:

2013-09-24

Original release date:

2014-05-27

Authors:

del Rio-Portilla, F.; Ramirez-Cordero, B.

Citation:

Citation: Ramirez-Cordero, Belen; Toledano, Yanis; Cano-Sanchez, Patricia; Hernandez-Lopez, Rogelio; Flores-Solis, David; Saucedo-Yanez, Alma; Chavez-Uribe, Isabel; Brieba, Luis; Del Rio-Portilla, Federico. "Cytotoxicity of recombinant tamapin and related toxin-like peptides on model cell lines." Chem. Res. Toxicol. 27, 960-967 (2014).
PubMed: 24821061

Assembly members:

Assembly members:
entity, polymer, 32 residues, 3528.202 Da.

Natural source:

Natural source: Common Name: scorpions Taxonomy ID: 34647 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mesobuthus tamulus

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: modified pEt32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: SAFCNLRRCELSCASLGLLG KCIGEECKCVPY

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
1H chemical shifts	203

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	GS-TAMAPIN MUTATION R13A	1

Entities:

Entity 1, GS-TAMAPIN MUTATION R13A 32 residues - 3528.202 Da.

1

SER

ALA

PHE

CYS

ASN

LEU

ARG

CYS

GLU

2

LEU

SER

CYS

ALA

SER

LEU

GLY

LEU

GLY

3

LYS

CYS

ILE

GLY

GLU

CYS

LYS

CYS

VAL

4

PRO

TYR

Samples:

sample_1: entity 2.0 ± 0.1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 3.3; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D DQF-COSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1

Software:

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

XEASY, Bartels et al. - chemical shift assignment

NMR spectrometers:

Varian INOVA 500 MHz