BMRB Entry 28031

Name: Chemical Shifts (ppm) of HVEM(14-39) peptide in phosphate buffer (pH 7.4) at 25 C
Published: 2020-01-10

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR28031

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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: Chemical Shifts (ppm) of HVEM(14-39) peptide in phosphate buffer (pH 7.4) at 25 C PubMed: 31963646

Deposition date: 2019-10-18 Original release date: 2020-01-10

Authors: Maszota-Zieleniak, Martyna

Citation: Spodzieja, Marta; Kuncewicz, Katarzyna; Sieradzan, Adam; Karczynska, Agnieszka; Iwaszkiewicz, Justyna; Cesson, Valerie; Wegrzyn, Katarzyna; Zhukov, Igor; Maszota-Zieleniak, Martyna; Michielin, Olivier; Speiser, Daniel; Zoete, Vincent; Derre, Laurent; Rodziewicz-Motowidlo, Sylwia. "Disulfide-Linked Peptides for Blocking BTLA/HVEM Binding" Int. J. Mol. Sci. 21, .-. (2020).

Assembly members:
HVEM(14-39)_peptide, polymer, 26 residues, Formula weight is not available

Natural source: Common Name: Human Taxonomy ID: 9606 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Homo sapiens

Experimental source: Production method: chemical synthesis Host organism: wheat germ - cell free

Entity Sequences (FASTA):
HVEM(14-39)_peptide: ESCPKCSPGYRVKEACGELT GTVCEP

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	25
15N chemical shifts	11
1H chemical shifts	150

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	HVEM(14-39) peptide	1

Entities:

Entity 1, HVEM(14-39) peptide 26 residues - Formula weight is not available

1

GLU

SER

CYS

PRO

LYS

CYS

SER

PRO

GLY

TYR

2

ARG

VAL

LYS

GLU

ALA

CYS

GLY

GLU

LEU

THR

3

GLY

THR

VAL

CYS

GLU

PRO

Samples:

sample_1: HVEM(14-39) peptide 6 mg

sample_conditions_1: pH: 7.4; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1

Software:

CYANA, Goddard - chemical shift assignment

NMR spectrometers:

Agilent UnityPlus 800 MHz

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