BMRB Entry 19460

Name: Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm)
Published: 2014-06-30

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PDB ID: 2md0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19460
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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:

Solution structure of ShK-like immunomodulatory peptide from Ancylostoma caninum (hookworm)

Deposition date:

2013-08-28

Original release date:

2014-06-30

Authors:

Chhabra, Sandeep; Swarbrick, James; Mohanty, Biswaranjan; Chang, Shih Chieh; Chandy, George; Pennington, Michael; Norton, Raymond

Citation:

Citation: chhabra, sandeep; Chang, Shih Chieh; Nguyen, Hai; Huq, Redwan; Tanner, Mark; Londono, Luz; Estrada, Rosendo; Dhawan, Vikas; Chauhan, Satendra; Upadhyay, Sanjeev; Figueros, Mariel; Mohanty, Biswaranjan; Swarbrick, James; Wulff, Heike; Iadonato, Shawn; Gutman, George; Beeton, Christine; Pennington, Michael; Norton, Raymond; Chandy, George. "Kv1.3 channel-blocking immunomodulatory peptides from parasitic worms: implications for autoimmune diseases" Faseb J. ., .-..
PubMed: 24891519

Assembly members:

Assembly members:
ShK-like_peptide_Ac, polymer, 51 residues, 5858.490 Da.

Natural source:

Natural source: Common Name: dog hookworm Taxonomy ID: 29170 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Ancylostoma caninum

Experimental source:

Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pET32a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
ShK-like_peptide_Ac: NDIRTAADMEHCADEKNFDC RRSLRNGDCDNDDKLLEMGY YCPVTCGFCEP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	196
15N chemical shifts	56
1H chemical shifts	309

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	ShK-like immunomodulatory peptide	1

Entities:

Entity 1, ShK-like immunomodulatory peptide 51 residues - 5858.490 Da.

1

ASN

ASP

ILE

ARG

THR

ALA

ASP

MET

GLU

2

HIS

CYS

ALA

ASP

GLU

LYS

ASN

PHE

ASP

CYS

3

ARG

SER

LEU

ARG

ASN

GLY

ASP

CYS

ASP

4

ASN

ASP

LYS

LEU

GLU

MET

GLY

TYR

5

TYR

CYS

PRO

VAL

THR

CYS

GLY

PHE

CYS

GLU

6

PRO

Samples:

sample_1: ShK-like_peptide_Ac, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 10 mM; H2O 90%; D2O 10%

sample_conditions_1: pH: 5.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
3D HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D HN(CO)CA	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aliphatic	sample_1	isotropic	sample_conditions_1
3D 1H-13C NOESY aromatic	sample_1	isotropic	sample_conditions_1
3D HNCO	sample_1	isotropic	sample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

XEASY, Bartels et al. - chemical shift assignment

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CCPNMR, CCPN - data analysis

NMR spectrometers:

Bruker Avance 500 MHz
Bruker Avance 800 MHz
Bruker Avance 600 MHz