BMRB Entry 34569

Name: Transmembrane helix of tumor necrosis factor alpha in trifluorethanol, AGALLL mutant
Published: 2020-12-01

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PDB ID: 7atb
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR34569
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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:

Transmembrane helix of tumor necrosis factor alpha in trifluorethanol, AGALLL mutant

Deposition date:

2020-10-29

Original release date:

2020-12-01

Authors:

Guschtschin-Schmidt, N.; Muhle-Goll, C.

Citation:

Citation: Spitz, C.; Schlosser, C.; Guschtschin-Schmidt, N.; Stelzer, W.; Menig, S.; Gotz, A.; Haug-Kroper, M.; Scharnagl, C.; Langosch, D.; Muhle-Goll, C.; Fluhrer, R.. "Increased helical flexibility of the TNFalpha transmembrane domain enhances non-canonical shedding by SPPL2a" iScience 23, 101775-101775 (2020).

Assembly members:

Assembly members:
entity_1, polymer, 33 residues, 3841.764 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: RRCLFLSLFSFLIVLLLTTL FCLLHFGVIGPQR

Data sets:

assigned_chemical_shifts
- assigned_chemical_shifts_1

Data type	Count
13C chemical shifts	99
1H chemical shifts	199

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 33 residues - 3841.764 Da.

1

ARG

CYS

LEU

PHE

LEU

SER

LEU

PHE

SER

2

PHE

LEU

ILE

VAL

LEU

THR

LEU

3

PHE

CYS

LEU

HIS

PHE

GLY

VAL

ILE

GLY

4

PRO

GLN

ARG

Samples:

sample_1: TNFA_TM_AGALLL 0.5 ± 0.1 mM

sample_conditions_1: ionic strength: 0 M; pH: 6.5; pressure: 1 atm; temperature: 303 K

Experiments:

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

Software:

TopSpin, Bruker Biospin - processing

CcpNmr Analysis, CCPN - chemical shift assignment, peak picking

ARIA, Linge, O'Donoghue and Nilges - structure calculation

NMR spectrometers:

Bruker AVANCE 600 MHz