BMRB Entry 7211

Name: 1H and 15N Chemical Shift Assignments of Erabutoxin b
Published: 2009-05-28

Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR7211

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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:

1H and 15N Chemical Shift Assignments of Erabutoxin b

Deposition date:

2006-07-06

Original release date:

2009-05-28

Authors:

Chuang, Woei-Jer; Chen, Chu-Chun

Citation:

Citation: Chuang, Woei-Jer; Chen, Chu-Chun; Cheng, Chun-Ho; Chen, Yi-Chun; Chen, Chiu-Yueh. "1H and 15N Chemical Shifts of recombinant erabutoxin b" J. Biol. Chem. ., .-..

Assembly members:

Assembly members:
erabutoxin b, polymer, 62 residues, Formula weight is not available

Natural source:

Natural source: Common Name: sea snake Taxonomy ID: 8631 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Laticauda semifasciata

Experimental source:

Experimental source: Production method: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
erabutoxin b: RICFNHQSSQPQTTKTCSPG ESSCYHKQWSDFRGTIIERG CGCPTVKPGIKLSCCESEVC NN

Data sets:

assigned_chemical_shifts
- chem_shift_list_1

Data type	Count
15N chemical shifts	56
1H chemical shifts	392

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	erabutoxin b monomer	1

Entities:

Entity 1, erabutoxin b monomer 62 residues - Formula weight is not available

1

ARG

ILE

CYS

PHE

ASN

HIS

GLN

SER

GLN

2

PRO

GLN

THR

LYS

THR

CYS

SER

PRO

GLY

3

GLU

SER

CYS

TYR

HIS

LYS

GLN

TRP

SER

4

ASP

PHE

ARG

GLY

THR

ILE

GLU

ARG

GLY

5

CYS

GLY

CYS

PRO

THR

VAL

LYS

PRO

GLY

ILE

6

LYS

LEU

SER

CYS

GLU

SER

GLU

VAL

CYS

7

ASN

Samples:

sample_1: erabutoxin b 3 ± 0.01 mM; H2O 90%; D2O 10%

sample_2: erabutoxin b 3 ± 0.01 mM; D2O 100%

sample_3: erabutoxin b, [U-98% 15N], 3 ± 0.01 mM; H2O 90%; D2O 10%

conditions_1: pH: 5.5; temperature: 300 K

Experiments:

Name	Sample	Sample state	Sample conditions
1H15N_HSQC	sample_1	not available	conditions_1
2D NOESY	sample_1	not available	conditions_1
2D TOCSY	sample_1	not available	conditions_1
2D DQF-COSY	sample_1	not available	conditions_1
15N-edited NOESY	not available	not available	conditions_1
15N-edited TOCSY	not available	not available	conditions_1

Software:

xwinnmr v3.5, Bruker -

NMR spectrometers:

Bruker Avance 600 MHz

PDB	1ERA 1FRA 1QKD 1QKE 3EBX 5EBX 6EBX
DBJ	BAA75749 BAA75750 BAA75751 BAA75752 BAC78199
EMBL	CAA26373 CAA34824 CAA35770
SP	P60775 Q7T2I5 Q90VW1
AlphaFold	Q7T2I5 P60775 Q90VW1