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Biological Magnetic Resonance Data Bank


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BMRB Entry 19266

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19266
MolProbity Validation Chart

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Title: Pre-Fusion Solution NMR Structure of Neuronal SNARE Syntaxin 1A   PubMed: 24218570

Deposition date: 2013-05-24 Original release date: 2013-11-11

Authors: Liang, Binyong; Kiessling, Volker; Tamm, Lukas

Citation: Liang, Binyong; Kiessling, Volker; Tamm, Lukas. "Prefusion structure of syntaxin-1A suggests pathway for folding into neuronal trans-SNARE complex fusion intermediate."  Proc. Natl. Acad. Sci. U.S.A. 110, 19384-19389 (2013).

Assembly members:
SNARE, polymer, 109 residues, 12334.465 Da.

Natural source:   Common Name: Norway rat   Taxonomy ID: 10116   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Rattus norvegicus

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
SNARE: GSHMDSSISKQALSEIETRH SEIIKLENSIRELHDMFMDM AMLVESQGEMIDRIEYNVEH AVDYVERAVSDTKKAVKYQS KARRKKIMIIICCVILGIII ASTIGGIFG

Data sets:
Data typeCount
13C chemical shifts468
15N chemical shifts114
1H chemical shifts784

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1SNARE1

Entities:

Entity 1, SNARE 109 residues - 12334.465 Da.

1   GLYSERHISMETASPSERSERILESERLYS
2   GLNALALEUSERGLUILEGLUTHRARGHIS
3   SERGLUILEILELYSLEUGLUASNSERILE
4   ARGGLULEUHISASPMETPHEMETASPMET
5   ALAMETLEUVALGLUSERGLNGLYGLUMET
6   ILEASPARGILEGLUTYRASNVALGLUHIS
7   ALAVALASPTYRVALGLUARGALAVALSER
8   ASPTHRLYSLYSALAVALLYSTYRGLNSER
9   LYSALAARGARGLYSLYSILEMETILEILE
10   ILECYSCYSVALILELEUGLYILEILEILE
11   ALASERTHRILEGLYGLYILEPHEGLY

Samples:

sample_1: SNARE, [U-13C; U-15N; U-2H], 1 mM; DPC 100 mM; HEPES 10 mM; MES 10 mM; sodium acetate 10 mM; sodium chloride 150 mM; DTT 5 mM; EDTA 1 mM; H2O 95%; D2O 5%

sample_2: SNARE, [U-100% 13C; U-100% 15N], 1 mM; DPC, [U-99% 2H], 100 mM; sodium chloride 150 mM; sodium azide 0.02%; sodium phosphate 10 mM; H2O 95%; D2O 5%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_2isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNHAsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D H(CCO)NHsample_2isotropicsample_conditions_1
3D C(CO)NHsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_2isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_2isotropicsample_conditions_1
3D 1H-13C NOESYsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH v2.32, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY, Goddard - chemical shift assignment

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

TALOS, Cornilescu, Delaglio and Bax - data analysis

TOPSPIN, Bruker Biospin - collection

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz
  • Varian INOVA 600 MHz

Related Database Links:

PDB
DBJ BAA01231 BAA02089 BAA07151 BAA28865 BAG36694
EMBL CAG33299
GB AAA20940 AAA42195 AAA53519 AAB22525 AAF23017
PIR G01485
PRF 2116295A
REF NP_001028037 NP_004594 NP_058081 NP_446240 XP_001146754
SP O35526 P32851 Q16623

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