BMRB Entry 36165

Name: Solution structure of integrin b2 monomer tranmembrane domain in bicelle
Published: 2018-10-12

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PDB ID: 5zaz
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR36165
MolProbity Validation Chart

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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of integrin b2 monomer tranmembrane domain in bicelle

Deposition date: 2018-02-09 Original release date: 2018-10-12

Authors: Li, H.; Guo, J.; Xu, C.

Citation: Guo, J.; Zhang, Y.; Li, H.; Chu, H.; Jiang, S.; Li, Y.; Shen, H.; Li, G.; Chen, J.; Xu, C.. "Intramembrane protein-lipid interaction regulates integrin structure and function in T cells" . ., .-..

Assembly members:
entity_1, polymer, 52 residues, 5647.616 Da.

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

Experimental source: Production method: recombinant technology Host organism: Escherichia coli BL21(DE3)

Entity Sequences (FASTA):
entity_1: PVDESRESVAGPNIAAIVGG TVAGIVLIGILLLVIWKALI HLSDLREYRRFE

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1
spectral_peak_list

Data type	Count
13C chemical shifts	235
15N chemical shifts	56
1H chemical shifts	396

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1

Entities:

Entity 1, entity_1 52 residues - 5647.616 Da.

1

PRO

VAL

ASP

GLU

SER

ARG

GLU

SER

VAL

ALA

2

GLY

PRO

ASN

ILE

ALA

ILE

VAL

GLY

3

THR

VAL

ALA

GLY

ILE

VAL

LEU

ILE

GLY

ILE

4

LEU

VAL

ILE

TRP

LYS

ALA

LEU

ILE

5

HIS

LEU

SER

ASP

LEU

ARG

GLU

TYR

ARG

6

PHE

GLU

Samples:

sample_1: integrin b2, [U-13C; U-15N], 0.6 mM; Bis-Tris 20 mM; DHPC 240 mM; NaN3 0.2%; POPC 48 mM; POPG 24 mM; Protease inhibitor cocktail 1%; H2O 90%; D2O, [U-2H], 10%

sample_conditions_1: ionic strength: 20 mM; pH: 6.7; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
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 HNCA	sample_1	isotropic	sample_conditions_1
3D HNCACB	sample_1	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_1	isotropic	sample_conditions_1
3D HNCO	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:

CYANA, Guntert P., Guntert, Mumenthaler and Wuthrich - refinement, structure calculation

KUJIRA, Kobayashi N. - chemical shift assignment, peak picking

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRView, Johnson, One Moon Scientific - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

Bruker AvanceIII 600 MHz
Bruker AvanceIII 900 MHz

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