BMRB Entry 17424

Name: Solution NMR Structure of Transmembrane and Cytosolic Regions of Integrin 1 in Detergent Micelles
Published: 2012-08-14

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PDB ID: 2l8s
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR17424
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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:

Solution NMR Structure of Transmembrane and Cytosolic Regions of Integrin 1 in Detergent Micelles

Deposition date:

2011-01-24

Original release date:

2012-08-14

Authors:

Lai, Chaohua; Liu, Xiaoxi; Tian, Changlin

Citation:

Citation: Lai, Chaohua; Liu, Xiaoxi; Tian, Changlin; Wu, Fangming. "Integrin 1 has a long helix, extending from the transmembrane region to the cytoplasmic tail in detergent micelles." PLoS ONE 8, e62954-e62954 (2013).
PubMed: 23646163

Assembly members:

Assembly members:
Integrin_Alpha1, polymer, 54 residues, 5272.820 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: pET21b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Integrin_Alpha1: MGLPGRVPLWVILLSAFAGL LLLMLLILALWKIGFFKRPL KKKMEKLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	176
15N chemical shifts	38
1H chemical shifts	202

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	Integrin_Alpha1	1

Entities:

Entity 1, Integrin_Alpha1 54 residues - 5272.820 Da.

1

MET

GLY

LEU

PRO

GLY

ARG

VAL

PRO

LEU

TRP

2

VAL

ILE

LEU

SER

ALA

PHE

ALA

GLY

LEU

3

LEU

MET

LEU

ILE

LEU

ALA

LEU

4

TRP

LYS

ILE

GLY

PHE

LYS

ARG

PRO

LEU

5

LYS

MET

GLU

LYS

LEU

GLU

HIS

6

HIS

Samples:

15N-labeled: sodium phosphate 50 mM; DTT 2 mM; Integrin Alpha 1, [U-15N], 1.0 mM; H20 95%; D20 5%

15N-13C-labeled: Integrin Alpha1, [U-13C; U-15N], 1.0 mM; sodium phosphate 50 mM; DTT 2 mM; H20 90%; D20 10%

sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	15N-labeled	isotropic	sample_conditions_1
2D 1H-15N HSQC	15N-13C-labeled	isotropic	sample_conditions_1
3D HNCO	15N-13C-labeled	isotropic	sample_conditions_1
3D HNCA	15N-13C-labeled	isotropic	sample_conditions_1
3D HNCACB	15N-13C-labeled	isotropic	sample_conditions_1
3D CBCA(CO)NH	15N-13C-labeled	isotropic	sample_conditions_1
3D C(CO)NH	15N-13C-labeled	isotropic	sample_conditions_1
3D HBHA(CO)NH	15N-13C-labeled	isotropic	sample_conditions_1
3D H(CCO)NH	15N-13C-labeled	isotropic	sample_conditions_1
3D 1H-15N NOESY	15N-13C-labeled	isotropic	sample_conditions_1

Software:

NMRView, Johnson, One Moon Scientific - chemical shift assignment

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

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - structure solution

NMR spectrometers:

Bruker DMX 600 MHz

PDB	2L8S
DBJ	BAC35370 BAE20498 BAG62150
EMBL	CAA36384
GB	AAI37122 AAI37123 AAI67237 EAW54865 EAW54868
REF	NP_001028400 NP_001296395 NP_112256 NP_852478 XP_001094788
SP	P18614 P56199 Q3V3R4
TPG	DAA17923
AlphaFold	P18614 P56199 Q3V3R4