BMRB Entry 6389

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PDB ID: 1wt7
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6389
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:

Acting on the Number of Molecular Contacts between Maurotoxin and Kv1.2 Channel Impacts Ligand Affinity

Deposition date:

2004-11-15

Original release date:

2005-08-22

Authors:

McBarek, Sarrah; Chagot, Benjamin; Andreotti, Nicolas; Visan, Violeta; Mansuelle, Pascal; Grissmer, Stephan; Marrakchi, Mohamed; El Ayeb, Mohamed; Sampieri, Francois; Darbon, Herve; Fajloun, Ziad; De Waard, Michel; Sabatier, Jean-Marc

Citation:

Citation: M'Barek, Sarrah; Chagot, Benjamin; Andreotti, Nicolas; Visan, Violeta; Mansuelle, Pascal; Grissmer, Stephan; Marrakchi, Mohamed; El Ayeb, Mohamed; Sampieri, Francois; Darbon, Herve; Fajloun, Ziad; De Waard, Michel; Sabatier, Jean-Marc. "Increasing the Molecular Contacts between Maurotoxin and Kv1.2 Channel Augments Ligand Affinity" Proteins 60, 401-411 (2005).
PubMed: 15971207

Assembly members:

Assembly members:
BuTX-MTX, polymer, 41 residues, Formula weight is not available

Natural source:

Natural source: Common Name: scorpion Taxonomy ID: 6887 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Tityus serrulatus

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BuTX-MTX: WCSTCLDLACTGSKDCYAPC RKQTGCPNAKCINKSCKCYG C

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
1H chemical shifts	208

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	BuTX-MTX	1

Entities:

Entity 1, BuTX-MTX 41 residues - Formula weight is not available

1

TRP

CYS

SER

THR

CYS

LEU

ASP

LEU

ALA

CYS

2

THR

GLY

SER

LYS

ASP

CYS

TYR

ALA

PRO

CYS

3

ARG

LYS

GLN

THR

GLY

CYS

PRO

ASN

ALA

LYS

4

CYS

ILE

ASN

LYS

SER

CYS

LYS

CYS

TYR

GLY

5

CYS

Samples:

sample_1: BuTX-MTX mM

conditions_1: pH: 3; temperature: 290 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H COSY	sample_1	not available	conditions_1
1H TOCSY	sample_1	not available	conditions_1
1H NOESY	sample_1	not available	conditions_1

Software:

xwinnmr v2.1, BRUKER -

NMR spectrometers:

BRUKER DRX 500 MHz