BMRB Entry 17932

Name: monophosphorylated (747pY) beta3 integrin cytoplasmic tail under aqueous conditions
Published: 2011-10-20

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PDB ID: 2ljf
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR17932
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title:

monophosphorylated (747pY) beta3 integrin cytoplasmic tail under aqueous conditions

Deposition date:

2011-09-11

Original release date:

2011-10-20

Authors:

Deshmukh, Lalit; Vinogradova, Olga

Citation:

Citation: Deshmukh, Lalit; Meller, Nahum; Alder, Nathan; Byzova, Tatiana; Vinogradova, Olga. "Tyrosine phosphorylation as a conformational switch: a case study of integrin 3 cytoplasmic tail." J. Biol. Chem. 286, 40943-40953 (2011).
PubMed: 21956114

Assembly members:

Assembly members:
monophosphorylated_(747pY)_beta3_integrin, polymer, 67 residues, 5666.315 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: recombinant technology Host organism: Escherichia coli Vector: pET16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
monophosphorylated_(747pY)_beta3_integrin: GSSHHHHHHSSGLVPRGSHM KLLITIHDRKEFAKFEEERA RAKWDTANNPLXKEATSTFT NITYRGT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
15N chemical shifts	50
1H chemical shifts	319

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	monophosphorylated (747pY) beta3 integrin	1

Entities:

Entity 1, monophosphorylated (747pY) beta3 integrin 67 residues - 5666.315 Da.

1

GLY

SER

HIS

SER

2

SER

GLY

LEU

VAL

PRO

ARG

GLY

SER

HIS

MET

3

LYS

LEU

ILE

THR

ILE

HIS

ASP

ARG

LYS

4

GLU

PHE

ALA

LYS

PHE

GLU

ARG

ALA

5

ARG

ALA

LYS

TRP

ASP

THR

ALA

ASN

PRO

6

LEU

PTR

LYS

GLU

ALA

THR

SER

THR

PHE

THR

7

ASN

ILE

THR

TYR

ARG

GLY

THR

Samples:

sample_1: monophosphorylated_(747pY)_beta3_integrin, [U-100% 15N], 0.4 mM; DSS 1 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.9; pressure: 1 atm; temperature: 273 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	sample_1	isotropic	sample_conditions_1
2D 1H-1H NOESY	sample_1	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_1

Software:

CNS v1.21, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

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

PSVS, Bhattacharya and Montelione - validation

NMR spectrometers:

Varian INOVA 600 MHz

BMRB	15552 17930 17931
PDB	1M8O 1S4X 2KNC 2LJD 2LJE 2LJF 2MTP
DBJ	BAE34283 BAJ17755
EMBL	CAD29521
GB	AAA35927 AAA52589 AAA52600 AAA60122 AAB27096
REF	NP_000203 NP_001003162 NP_001075271 NP_001075535 NP_001193419
SP	O54890 P05106
TPG	DAA18403
AlphaFold	O54890 P05106