BMRB Entry 34892

Name: Solution NMR structure of Integrin beta-1 TMD
Published: 2024-06-24

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PDB ID: 8rpq
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34892
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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 Integrin beta-1 TMD

Deposition date:

2024-01-16

Original release date:

2024-06-24

Authors:

Muhle-Goll, C.; Moser, C.

Citation:

Citation: Moser, C.; Guschtschin-Schmidt, N.; Silber, M.; Flum, J.; Muhle-Goll, C.. "Substrate Selection Criteria in Regulated Intramembrane Proteolysis." Acs Chem. Neurosci. 15, 1321-1334 (2024).
PubMed: 38525994

Assembly members:

Assembly members:
entity_1, polymer, 36 residues, 3876.872 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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GPDIIPIVAGVVAGIVLIGL ALLLIWKLLMIIHDRR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	133
15N chemical shifts	34
1H chemical shifts	275

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Assembly:

Entity Assembly ID	Entity Name	Entity ID
1	unit_1	1

Entities:

Entity 1, unit_1 36 residues - 3876.872 Da.

1

GLY

PRO

ASP

ILE

PRO

ILE

VAL

ALA

GLY

2

VAL

ALA

GLY

ILE

VAL

LEU

ILE

GLY

LEU

3

ALA

LEU

ILE

TRP

LYS

LEU

MET

4

ILE

HIS

ASP

ARG

Samples:

sample_1: Itgb1 0.5 ± 0.2 uM

sample_conditions_1: ionic strength: 0 Not defined; pH: 6.5; pressure: 1 atm; temperature: 300 K

Experiments:

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

Software:

CcpNmr Analysis v2.4.2, CCPN - chemical shift assignment, peak picking

ARIA v2.3.2, Linge, O'Donoghue and Nilges - structure calculation

ARIA, Linge, O'Donoghue and Nilges - refinement

NMR spectrometers:

Bruker AVANCE III 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks