BMRB Entry 6576

Name: Backbone and sidechain 1H assignments of Crotamine
Published: 2005-10-28

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR6576

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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:

Backbone and sidechain 1H assignments of Crotamine

Deposition date:

2005-04-01

Original release date:

2005-10-28

Authors:

Fadel, Valmir; Bettendorff, Pascal; Herrmann, Torsten; de Azevedo, Walter; Oliveira, Eduardo; Yamane, Tetsuo; Wuthrich, Kurt

Citation:

Citation: Fadel, Valmir; Bettendorff, Pascal; Herrmann, Torsten; de Azevedo, Walter; Oliveira, Eduardo; Yamane, Tetsuo; Wuthrich, Kurt. "Automated NMR structure determination and disulfide bond identification of the myotoxin crotamine from Crotalus durissus terrificus" Toxicon ., .-. (2005).

Assembly members:

Assembly members:
Crotamine, polymer, 42 residues, Formula weight is not available

Natural source:

Natural source: Common Name: tropical rattlesnake Taxonomy ID: 8732 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Crotalus durissus terrificus

Experimental source:

Experimental source: Production method: Purified from the natural source

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Crotamine: YKQCHKKGGHCFPKEKICLP PSSDFGKMDCRWRWKCCKKG SG

Data sets:

assigned_chemical_shifts
- chem_shift_list_in_d2o
- chem_shift_list
coupling_constants
- J_coupling_list_1

Data type	Count
1H chemical shifts	510
coupling constants	22

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Crotamine	1

Entities:

Entity 1, Crotamine 42 residues - Formula weight is not available

1

TYR

LYS

GLN

CYS

HIS

LYS

GLY

HIS

2

CYS

PHE

PRO

LYS

GLU

LYS

ILE

CYS

LEU

PRO

3

PRO

SER

ASP

PHE

GLY

LYS

MET

ASP

CYS

4

ARG

TRP

ARG

TRP

LYS

CYS

LYS

GLY

5

SER

GLY

Samples:

D2O_sample: Crotamine, no, 1.8 ± 0.2 mM; D2O 100%

sample: Crotamine, no, 1.8 ± 0.2 mM; D2O 5%; H2O 95%

higher_temperature: pH: 5.8; temperature: 313.4 K

room_temperature: pH: 5.8; temperature: 293.4 K

Experiments:

Name	Sample	Sample state	Sample conditions
[1H,_1H]-DQF-COSY	not available	not available	not available
[1H,_1H]-TOCSY	not available	not available	not available
[1H,_1H]-NOESY	not available	not available	not available

Software:

No software information available

NMR spectrometers:

Bruker DRX 500 MHz
Bruker DRX 600 MHz
Bruker DRX 750 MHz
Bruker Avance 900 MHz

PDB	1H5O 1Z99 4GV5
GB	AAC02995 AAC06241 AAC19036 AAF34910 AAF34911
PRF	751420A
SP	O57540 O73799 P63327 Q9PWF3
AlphaFold	O57540 O73799 P63327 Q9PWF3