BMRB Entry 21082

Name: HAL-2/27
Published: 2020-05-12

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR21082

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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:

HAL-2/27

Deposition date:

2018-09-19

Original release date:

2020-05-12

Authors:

Socha, Ondrej

Citation:

Citation: Kocendova, Jitka; Vankova, Eva; Volejnikova, Andrea; Nesuta, Ondrej; Hajek, Miroslav; Hadravova, Romana; Humpolickova, Jana; Budesinsky, Milos; Socha, Ondrej; Cerovsky, Vaclav. "HAL-2/27" .

Assembly members:

Assembly members:
HAL-2/27, polymer, 13 residues, Formula weight is not available

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: recombinant technology

Entity Sequences (FASTA):

Entity Sequences (FASTA):
HAL-2/27: GKWMKLLKKILKX

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list

Data type	Count
13C chemical shifts	72
15N chemical shifts	12
1H chemical shifts	117

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	polypeptide	1

Entities:

Entity 1, polypeptide 13 residues - Formula weight is not available

1

GLY

LYS

TRP

MET

LYS

LEU

LYS

ILE

2

LEU

LYS

NH2

Samples:

sample_1: TFE 30 v/v; H2O 95%; D2O, [U-2H], 5%

sample_conditions_1: pH: 4.4; temperature: 298 K

Experiments:

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

Software:

CcpNmr_Analysis v2.4, CCPN - chemical shift assignment, peak picking

X-PLOR_NIH v2.44, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

TOPSPIN, Bruker Biospin - collection, processing

TALOS, Cornilescu, Delaglio and Bax - data analysis

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