BMRB Entry 18440

Name: Analog of the fragment 197-221 of 1- adrenoreceptor
Published: 2013-05-03

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PDB ID: 2lsq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR18440
MolProbity Validation Chart

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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:

Analog of the fragment 197-221 of 1- adrenoreceptor

Deposition date:

2012-05-04

Original release date:

2013-05-03

Authors:

Bushuev, Valery; Zykov, K.; Bespalova, Z.; Bibilashvili, R.; Efremov, E.; Golitsyn, S.; Kaznacheeva, L.; Kuzhetsova, T.; Levashov, P.; Masenko, V.; Mironova, N.; Molokoedov, F.; Rutkevich, P.; Rvacheva, A.; Sharf, T.; Sidorova, M.; Vlasik, T.; Yanushevskaya, E.

Citation:

Citation: Bushuev, Valery. "Not applicable" To be Published ., .-..

Assembly members:

Assembly members:
entity, polymer, 25 residues, 2941.249 Da.

Natural source:

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

Experimental source:

Experimental source: Production method: chemical synthesis Host organism: none Vector: none

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity: NCWRAESDEARRCYNDPKCS DSVCK

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	63
1H chemical shifts	147

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Analog of the fragment 197-221 of 1- adrenoreceptor	1

Entities:

Entity 1, Analog of the fragment 197-221 of 1- adrenoreceptor 25 residues - 2941.249 Da.

1

ASN

CYS

TRP

ARG

ALA

GLU

SER

ASP

GLU

ALA

2

ARG

CYS

TYR

ASN

ASP

PRO

LYS

CYS

SER

3

ASP

SER

VAL

CYS

LYS

Samples:

sample_1: entity 2 mM; sodium azide 1 mM; sodium acetate, [U-100% 2H], 20 mM; H2O 90%; D2O 10%

sample_2: entity 2 mM; sodium azide 1 mM; sodium acetate, [U-100% 2H], 20 mM; D2O 100%

sample_conditions_1: ionic strength: 21 mM; pH: 5.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-13C HSQC aliphatic	sample_2	isotropic	sample_conditions_1
2D 1H-13C HSQC aromatic	sample_2	isotropic	sample_conditions_1
2D DQF-COSY	sample_2	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_2	isotropic	sample_conditions_1
2D 1H-1H TOCSY	sample_2	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:

xwinnmr v1.3, Bruker Biospin - collection, processing

CARA v1.9.5, Keller and Wuthrich - chemical shift assignment, peak picking

CYANA v3.0, Guntert, Mumenthaler and Wuthrich - structure solution

NMR spectrometers:

Bruker DPX 500 MHz