Pre-Fusion Solution NMR Structure of Neuronal SNARE Syntaxin 1A
GSHMDSSISK QALSEIETRH SEIIKLENSI RELHDMFMDM AMLVESQGEM IDRIEYNVEH AVDYVERAVS DTKKAVKYQS KARRKKIMII ICCVILGIII ASTIGGIFG
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.9 % (1232 of 1272) | 97.7 % (646 of 661) | 95.4 % (474 of 497) | 98.2 % (112 of 114) |
Backbone | 99.5 % (651 of 654) | 99.6 % (223 of 224) | 100.0 % (321 of 321) | 98.2 % (107 of 109) |
Sidechain | 94.9 % (684 of 721) | 96.8 % (423 of 437) | 91.8 % (256 of 279) | 100.0 % (5 of 5) |
Aromatic | 70.0 % (42 of 60) | 86.7 % (26 of 30) | 53.3 % (16 of 30) | |
Methyl | 97.8 % (133 of 136) | 100.0 % (68 of 68) | 95.6 % (65 of 68) |
1. SNARE
GSHMDSSISK QALSEIETRH SEIIKLENSI RELHDMFMDM AMLVESQGEM IDRIEYNVEH AVDYVERAVS DTKKAVKYQS KARRKKIMII ICCVILGIII ASTIGGIFGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
11 | SNARE | [U-100% 13C; U-100% 15N] | 1 mM | |
12 | DPC | [U-99% 2H] | 100 mM | |
13 | sodium chloride | natural abundance | 150 mM | |
14 | sodium azide | natural abundance | 0.02 % | |
15 | sodium phosphate | natural abundance | 10 mM | |
16 | H2O | natural abundance | 95 % | |
17 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 313 K, pH 5.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | SNARE | [U-13C; U-15N; U-2H] | 1 mM | |
2 | DPC | natural abundance | 100 mM | |
3 | HEPES | natural abundance | 10 mM | |
4 | MES | natural abundance | 10 mM | |
5 | sodium acetate | natural abundance | 10 mM | |
6 | sodium chloride | natural abundance | 150 mM | |
7 | DTT | natural abundance | 5 mM | |
8 | EDTA | natural abundance | 1 mM | |
9 | H2O | natural abundance | 95 % | |
10 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints | combined_19266_2m8r.nef |
Input source #2: Coordindates | 2m8r.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
180-----190-------200-------210-------220-------230-------240-------250-------260-------270-------28 GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 0-------- ASTIGGIFG ||||||||| ASTIGGIFG ---------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 109 | 0 | 0 | 100.0 |
Content subtype: combined_19266_2m8r.nef
Assigned chemical shifts
180-----190-------200-------210-------220-------230-------240-------250-------260-------270-------28 GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII 0-------- ASTIGGIFG ||||||||| ASTIGGIFG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 661 | 642 | 97.1 |
13C chemical shifts | 497 | 468 | 94.2 |
15N chemical shifts | 120 | 114 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 224 | 219 | 97.8 |
13C chemical shifts | 218 | 215 | 98.6 |
15N chemical shifts | 109 | 105 | 96.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 437 | 423 | 96.8 |
13C chemical shifts | 279 | 253 | 90.7 |
15N chemical shifts | 11 | 9 | 81.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 75 | 71 | 94.7 |
13C chemical shifts | 75 | 64 | 85.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 26 | 86.7 |
13C chemical shifts | 30 | 16 | 53.3 |
Distance restraints
180-----190-------200-------210-------220-------230-------240-------250-------260-------270-------28 GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII 0-------- ASTIGGIFG ||||||||| ASTIGGIFG
Dihedral angle restraints
180-----190-------200-------210-------220-------230-------240-------250-------260-------270-------28 GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||| ........SKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKK.....SKARRKKIMIIICCVILGIII 0-------- ASTIGGIFG ||||||||| ASTIGGIFG
RDC restraints
180-----190-------200-------210-------220-------230-------240-------250-------260-------270-------28 GSHMDSSISKQALSEIETRHSEIIKLENSIRELHDMFMDMAMLVESQGEMIDRIEYNVEHAVDYVERAVSDTKKAVKYQSKARRKKIMIIICCVILGIII ||||||||||||||||||||||||||||||||| | |||| |||| |||||||||||| || | || ||||| | ||||||| ||| |||| || ...MDSSISKQALSEIETRHSEIIKLENSIRELHDM.M..AMLV.SQGE.IDRIEYNVEHAV..VE.A.SD.KKAVK.Q..ARRKKIM.IIC.VILG.II 0-------- ASTIGGIFG ||||||||| ASTIGGIFG