BMRB Entry 31094

Name: Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)
Published: 2023-09-23

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PDB ID: 8t61
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR31094
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)

Deposition date: 2023-06-15 Original release date: 2023-09-23

Authors: McShan, A.; Torres, M.

Citation: McShan, A.; Torres, M.. "Solution NMR structure of designed peptide BH33 (RHYYKFNSTGRHYHYY)" .

Assembly members:
entity_1, polymer, 16 residues, 2198.402 Da.

Natural source: Common Name: not available Taxonomy ID: 32630 Superkingdom: not available Kingdom: not available Genus/species: synthetic construct

Experimental source: Production method: chemical synthesis

Entity Sequences (FASTA):
entity_1: RHYYKFNSTGRHYHYY

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	31
15N chemical shifts	16
1H chemical shifts	62

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 16 residues - 2198.402 Da.

1

ARG

HIS

TYR

LYS

PHE

ASN

SER

THR

GLY

2

ARG

HIS

TYR

HIS

TYR

Samples:

sample_1: BH33 peptide 1.52 mM

sample_conditions_1: ionic strength: 50 mM; pH: 5; pressure: 1 atm; temperature: 277.15 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_1	isotropic	sample_conditions_1

Software:

Sparky, Goddard - chemical shift assignment

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis

CS-ROSETTA, Shen, Vernon, Baker and Bax - structure calculation

NMR spectrometers:

Bruker Bruker AVIIIHD-800 800 MHz

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