BMRB Entry 30538

Name: Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi
Published: 2020-03-05

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PDB ID: 6mzt
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30538
MolProbity Validation Chart

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Nicholas Rego and David Koes
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

Solution structure of alpha-KTx-6.21 (UroTx) from Urodacus yaschenkoi

Deposition date:

2018-11-05

Original release date:

2020-03-05

Authors:

Chin, Y.; Luna-Ramirez, K.; Anangi, R.; King, G.

Citation:

Citation: Luna-Ramirez, Karen; Csoti, Agota; McArthur, Jeffrey; Chin, Yanni; Anangi, Raveendra; Najera, Rosby Del Carmen; Possani, Lourival; King, Glenn; Panyi, Gyorgy; Yu, Haibo; Adams, David; Finol-Urdaneta, Rocio. "Structural basis of the potency and selectivity of Urotoxin, a potent Kv1 blocker from scorpion venom" Biochem. Pharmacol. 174, 113782-113782 (2020).
PubMed: 31881193

Assembly members:

Assembly members:
entity_1, polymer, 37 residues, 4028.794 Da.

Natural source:

Natural source: Common Name: Inland robust scorpion Taxonomy ID: 1273102 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Urodacus yaschenkoi

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GDIKCSGTRQCWGPCKKQTT CTNSKCMNGKCKCYGCV

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	140
15N chemical shifts	40
1H chemical shifts	217

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 37 residues - 4028.794 Da.

1

GLY

ASP

ILE

LYS

CYS

SER

GLY

THR

ARG

GLN

2

CYS

TRP

GLY

PRO

CYS

LYS

GLN

THR

3

CYS

THR

ASN

SER

LYS

CYS

MET

ASN

GLY

LYS

4

CYS

LYS

CYS

TYR

GLY

CYS

VAL

Samples:

sample_1: UroTx, [U-13C; U-15N], 200 uM; sodium acetate 20 mM; D2O 5%

sample_conditions_1: pH: 5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HBHA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - chemical shift assignment, refinement, structure calculation

Analysis, CCPN - chemical shift assignment, data analysis, peak picking

TOPSPIN, Bruker Biospin - collection

TALOS-N, Cornilescu, Delaglio and Bax - geometry optimization

Rowland NMR Toolkit, http://www.rowland.org/rnmrtk/toolkit.html - processing

NMR spectrometers:

Bruker AvanceIII 900 MHz

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