BMRB Entry 6915

Name: 1H and 15N Chemical Shift Assignments of Recombinant Dendroaspin
Published: 2009-05-27

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PDB ID: 2la1
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6915
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: 1H and 15N Chemical Shift Assignments of Recombinant Dendroaspin

Deposition date: 2005-12-05 Original release date: 2009-05-27

Authors: Chuang, Woei-Jer; Cheng, Chun-Ho; Chen, Yi-Chun

Citation: Chuang, Woei-Jer; Cheng, Chun-Ho; Chen, Yi-Chun. "Expression in Pichia pastoris and backbone dynamics of dendroaspin, a three finger toxin" Proteins ., .-..

Assembly members:
Dendroaspin - snake toxin, polymer, 67 residues, Formula weight is not available

Natural source: Common Name: Jameson Taxonomy ID: 8619 Superkingdom: not available Kingdom: not available Genus/species: Eukaryota Viridiplantae

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):
Dendroaspin - snake toxin: EFHHHHHHRICYNHLGTKPP TTETCQEDSCYKNIWTFDNI IRRGCGCFTPRGDMPGPYCC ESDKCNL

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
15N chemical shifts	59
1H chemical shifts	385

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Dendroaspin monomer	1

Entities:

Entity 1, Dendroaspin monomer 67 residues - Formula weight is not available

1

GLU

PHE

HIS

ARG

ILE

2

CYS

TYR

ASN

HIS

LEU

GLY

THR

LYS

PRO

3

THR

GLU

THR

CYS

GLN

GLU

ASP

SER

CYS

4

TYR

LYS

ASN

ILE

TRP

THR

PHE

ASP

ASN

ILE

5

ILE

ARG

GLY

CYS

GLY

CYS

PHE

THR

PRO

6

ARG

GLY

ASP

MET

PRO

GLY

PRO

TYR

CYS

7

GLU

SER

ASP

LYS

CYS

ASN

LEU

Samples:

sample_1: Dendroaspin 3.18 ± 0.1 mM; H2O 90%; D2O 10%

sample_2: Dendroaspin 3.18 ± 0.1 mM; D2O 100%

sample_3: Dendroaspin, [U-98% 15N], 1.92 ± 0.01 mM; H2O 90%; D2O 10%

conditions_1: pH: 1.2; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	not available	not available	conditions_1
2D 1H-1H NOESY	not available	not available	conditions_1
2D 1H-15N HSQC	not available	not available	conditions_1
3D 1H-1H-15N TOCSY	not available	not available	conditions_1
3D 1H-1H-15N NOESY	not available	not available	conditions_1
3D HNHA	not available	not available	conditions_1

Software:

xwinnmr v2.6 -

AURELIA v3.0 -

NMR spectrometers:

Bruker AVANCE 600 MHz

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