BMRB Entry 30372

Name: NMR Solution structure of U-SLPTX15-Sm2a
Published: 2018-11-06

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PDB ID: 6bl9
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR30372
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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:

NMR Solution structure of U-SLPTX15-Sm2a

Deposition date:

2017-11-09

Original release date:

2018-11-06

Authors:

Harvey, P.; Craik, D.; Durek, T.; Dash, T.

Citation:

Citation: Dash, Thomas; Shafee, Thomas; Harvey, Peta; Zhang, Chuchu; Peigneur, Steve; Deuis, Jennifer; Vetter, Irina; Tytgat, Jan; Anderson, Marilyn; Craik, David; Durek, Thomas; Undheim, Eivind. "A Centipede Toxin Family Defines an Ancient Class of CSab Defensins" Structure 27, 315-326 (2019).
PubMed: 30554841

Assembly members:

Assembly members:
entity_1, polymer, 53 residues, 6007.699 Da.

Natural source:

Natural source: Common Name: not available Taxonomy ID: not available Superkingdom: not available Kingdom: not available Genus/species: not available not available

Experimental source:

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: EETEEPIRHAKKNPSEGECK KACADAFANGDQSKIAKAEN FKDYYCNCHIIIH

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	115
15N chemical shifts	43
1H chemical shifts	346

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 53 residues - 6007.699 Da.

1

GLU

THR

GLU

PRO

ILE

ARG

HIS

ALA

2

LYS

ASN

PRO

SER

GLU

GLY

GLU

CYS

LYS

3

LYS

ALA

CYS

ALA

ASP

ALA

PHE

ALA

ASN

GLY

4

ASP

GLN

SER

LYS

ILE

ALA

LYS

ALA

GLU

ASN

5

PHE

LYS

ASP

TYR

CYS

ASN

CYS

HIS

ILE

6

ILE

HIS

Samples:

sample_1: peptide 1.0 mM

sample_2: peptide 1.0 mM

sample_conditions_1: pH: 3.0; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	not available	sample_conditions_1
2D 1H-1H ECOSY	sample_2	not available	sample_conditions_1
2D 1H-13C HSQC aliphatic	sample_2	not available	sample_conditions_1
2D 1H-15N HSQC	sample_1	not available	sample_conditions_1
2D 1H-1H NOESY	sample_2	not available	sample_conditions_1
2D 1H-1H NOESY	sample_1	not available	sample_conditions_1
2D 1H-1H TOCSY	sample_2	not available	sample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

CcpNMR, CCPN - chemical shift assignment

MOLPROBITY, Richardson - data analysis

TOPSPIN v2.1, Bruker Biospin - collection

NMR spectrometers:

Bruker Avance 600 MHz

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