BMRB Entry 26003

Name: HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE SPIDER VENOM PEPTIDE U3-SCYTOTOXIN-STH1H
Published: 2016-06-01

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PDB ID: 5fzw
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR26003
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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:

HIGH RESOLUTION SOLUTION NMR STRUCTURE OF THE SPIDER VENOM PEPTIDE U3-SCYTOTOXIN-STH1H

Deposition date:

2016-03-18

Original release date:

2016-06-01

Authors:

Loening, Nikolaus

Citation:

Citation: Ariki, Nathanial; Munoz, Lisa; Armitage, Elizabeth; Goodstein, Francesca; George, Kathryn; Smith, Vanessa; Vetter, Irina; Herzig, Volker; King, Glenn; Loening, Nikolaus. "Characterization of Three Venom Peptides from the Spitting Spider Scytodes thoracica" PLoS One 11, e0156291-e0156291 (2016).
PubMed: 27227898

Assembly members:

Assembly members:
U3-scytotoxin-Sth1h, polymer, 33 residues, 3612.2453 Da.

Natural source:

Natural source: Common Name: spitting spider Taxonomy ID: 1112478 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Scytodes thoracica

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: PLIC-MBP

Entity Sequences (FASTA):

Entity Sequences (FASTA):
U3-scytotoxin-Sth1h: GLIESIACMQKGLPCMEHVD CCHGVCDSLFCLY

Data sets:

Data type	Count
13C chemical shifts	143
15N chemical shifts	64
1H chemical shifts	444

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	SYTXD 7	1

Samples:

sample_new_2: U3-scytotoxin-Sth1h, [U-13C; U-15N], 0.55 ± 0.10 mM

15N-13C: SYTXD_7, [U-98% 13C; U-98% 15N], 0.4 ± 0.0001 mM

15N: SYTXD_7, [U-98% 13C; U-98% 15N], 0.55 ± 0.0001 mM

sample_new_1: U3-scytotoxin-Sth1h, [U-13C; U-15N], 0.40 ± 0.10 mM

Standard: ionic strength: 0.030 M; pH: 6.500; pressure: 1.000 atm; temperature: 298.000 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC/HMQC	15N-13C	isotropic	Standard
2D 1H-15N HSQC/HMQC	15N-13C	isotropic	Standard
2D 1H-13C HSQC/HMQC	15N-13C	isotropic	Standard
2D 1H-13C HSQC/HMQC	15N-13C	isotropic	Standard
2D 1H-13C HSQC/HMQC	15N-13C	isotropic	Standard
3D HNCO	15N-13C	isotropic	Standard
HNCACO (H[N[ca[CO]]])	15N-13C	isotropic	Standard
HNCOCACB (H[N[co[{CA\|ca[C]}]]])	15N-13C	isotropic	Standard
3D HNCACB	15N-13C	isotropic	Standard
2D 1H-1H TOCSY	15N-13C	isotropic	Standard
2D 1H-1H NOESY	15N-13C	isotropic	Standard
3D HCCH-TOCSY	15N-13C	isotropic	Standard
13C HSQC NOESY (H_H[{N\|C}].through-space)	15N-13C	isotropic	Standard
13C Aro HSQC NOESY (H_H[{N\|C}].through-space)	15N-13C	isotropic	Standard
15N HSQC NOESY (H_H[{N\|C}].through-space)	15N-13C	isotropic	Standard
2D 1H-15N HSQC/HMQC	15N	isotropic	Standard
2D 1H-1H TOCSY	15N	isotropic	Standard
2D 1H-1H NOESY	15N	isotropic	Standard
2D 1H-1H NOESY	15N	isotropic	Standard
13C ARO HSQC NOESY	sample_new_1	solution	Standard
13C AROMATIC HSQC	sample_new_1	solution	Standard
13C CT-HSQC	sample_new_1	solution	Standard
13C HSQC	sample_new_1	solution	Standard
13C HSQC NOESY	sample_new_1	solution	Standard
15N HMQC	sample_new_1	solution	Standard
15N HMQC 2	sample_new_1	solution	Standard
15N HSQC NOESY	sample_new_1	solution	Standard
1H NOESY (120MS)	sample_new_1	solution	Standard
1H TOCSY	sample_new_1	solution	Standard
HCCH TOCSY	sample_new_1	solution	Standard
HNCACB	sample_new_1	solution	Standard
HNCACO	sample_new_1	solution	Standard
HNCO	sample_new_1	solution	Standard
HNCOCACB	sample_new_1	solution	Standard
15N HSQC (15N SAMPLE)	sample_new_2	solution	Standard
1H TOCSY (15N SAMPLE)	sample_new_2	solution	Standard
NOESY 120MS (15N SAMPLE)	sample_new_2	solution	Standard
NOESY 200MS (15N SAMPLE)	sample_new_2	solution	Standard

BMRB Entry 26003

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