BMRB Entry 50423
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR50423
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Title: Chemical shifts assignments of synaptobrevin-2 in trans-SNARE complex by solid-state NMR
Deposition date: 2020-08-04 Original release date: 2023-05-04
Authors: Zhang, Yan; Hu, YaRu; Yang, Jun; Ma, Cong
Citation: Zhang, Yan; Hu, YaRu. "Phospholipid bilayer-based study of synaptobrevin-2 by Solid-state NMR" .
Assembly members:
entity_1, polymer, 116 residues, Formula weight is not available
entity_2, polymer, 252 residues, Formula weight is not available
entity_3, polymer, 206 residues, Formula weight is not available
Natural source: Common Name: Mouse Taxonomy ID: 10090 Superkingdom: Eukaryota Kingdom: Metazoa Genus/species: Mus musculus
Experimental source: Production method: recombinant technology Host organism: Escherichia coli Vector: pGEX-KG
Entity Sequences (FASTA):
entity_1: MSATAATVPPAAPAGEGGPP
APPPNLTSNRRLQQTQAQVD
EVVDIMRVNVDKVLERDQKL
SELDDRADALQAGASQFETS
AAKLKRKYWWKNLKMMIILG
VICAIILIIIIVYFST
entity_2: KDRTQELRTAKDSDDDDDVT
VTVDRDRFMDEFFEQVEEIR
GFIDKIAENVEEVKRKHSAI
LASPNPDEKTKEELEELMSD
IKKTANKVRSKLKSIEQSIE
QEEGLNRSSADLRIRKTQHS
TLSRKFVEVMSEYNATQSDY
RERCKGRIQRQLEITGRTTT
SEELEDMLESGNPAIFASGI
IMDSSISKQALSEIETRHSE
IIKLENSIRELHDMFMDMAM
LVESQGEMIDRIEYNVEHAV
DYVERAVSDTKK
entity_3: MAEDADMRNELEEMQRRADQ
LADESLESTRRMLQLVEESK
DAGIRTLVMLDEQGEQLDRV
EEGMNHINQDMKEAEKNLKD
LGKCCGLFICPCNKLKSSDA
YKKAWGNNQDGVVASQPARV
VDEREQMAISGGFIRRVTND
ARENEMDENLEQVSGIIGNL
RHMALDMGNEIDTQNRQIDR
IMEKADSNKTRIDEANQRAT
KMLGSG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 262 |
| 15N chemical shifts | 69 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Trans SNARE Complex, chain 1 | 1 |
| 2 | Trans SNARE Complex, chain 2 | 2 |
| 3 | Trans SNARE Complex, chain 3 | 3 |
Entities:
Entity 1, Trans SNARE Complex, chain 1 116 residues - Formula weight is not available
| 1 | MET | SER | ALA | THR | ALA | ALA | THR | VAL | PRO | PRO | ||||
| 2 | ALA | ALA | PRO | ALA | GLY | GLU | GLY | GLY | PRO | PRO | ||||
| 3 | ALA | PRO | PRO | PRO | ASN | LEU | THR | SER | ASN | ARG | ||||
| 4 | ARG | LEU | GLN | GLN | THR | GLN | ALA | GLN | VAL | ASP | ||||
| 5 | GLU | VAL | VAL | ASP | ILE | MET | ARG | VAL | ASN | VAL | ||||
| 6 | ASP | LYS | VAL | LEU | GLU | ARG | ASP | GLN | LYS | LEU | ||||
| 7 | SER | GLU | LEU | ASP | ASP | ARG | ALA | ASP | ALA | LEU | ||||
| 8 | GLN | ALA | GLY | ALA | SER | GLN | PHE | GLU | THR | SER | ||||
| 9 | ALA | ALA | LYS | LEU | LYS | ARG | LYS | TYR | TRP | TRP | ||||
| 10 | LYS | ASN | LEU | LYS | MET | MET | ILE | ILE | LEU | GLY | ||||
| 11 | VAL | ILE | CYS | ALA | ILE | ILE | LEU | ILE | ILE | ILE | ||||
| 12 | ILE | VAL | TYR | PHE | SER | THR |
Entity 2, Trans SNARE Complex, chain 2 252 residues - Formula weight is not available
| 1 | LYS | ASP | ARG | THR | GLN | GLU | LEU | ARG | THR | ALA | ||||
| 2 | LYS | ASP | SER | ASP | ASP | ASP | ASP | ASP | VAL | THR | ||||
| 3 | VAL | THR | VAL | ASP | ARG | ASP | ARG | PHE | MET | ASP | ||||
| 4 | GLU | PHE | PHE | GLU | GLN | VAL | GLU | GLU | ILE | ARG | ||||
| 5 | GLY | PHE | ILE | ASP | LYS | ILE | ALA | GLU | ASN | VAL | ||||
| 6 | GLU | GLU | VAL | LYS | ARG | LYS | HIS | SER | ALA | ILE | ||||
| 7 | LEU | ALA | SER | PRO | ASN | PRO | ASP | GLU | LYS | THR | ||||
| 8 | LYS | GLU | GLU | LEU | GLU | GLU | LEU | MET | SER | ASP | ||||
| 9 | ILE | LYS | LYS | THR | ALA | ASN | LYS | VAL | ARG | SER | ||||
| 10 | LYS | LEU | LYS | SER | ILE | GLU | GLN | SER | ILE | GLU | ||||
| 11 | GLN | GLU | GLU | GLY | LEU | ASN | ARG | SER | SER | ALA | ||||
| 12 | ASP | LEU | ARG | ILE | ARG | LYS | THR | GLN | HIS | SER | ||||
| 13 | THR | LEU | SER | ARG | LYS | PHE | VAL | GLU | VAL | MET | ||||
| 14 | SER | GLU | TYR | ASN | ALA | THR | GLN | SER | ASP | TYR | ||||
| 15 | ARG | GLU | ARG | CYS | LYS | GLY | ARG | ILE | GLN | ARG | ||||
| 16 | GLN | LEU | GLU | ILE | THR | GLY | ARG | THR | THR | THR | ||||
| 17 | SER | GLU | GLU | LEU | GLU | ASP | MET | LEU | GLU | SER | ||||
| 18 | GLY | ASN | PRO | ALA | ILE | PHE | ALA | SER | GLY | ILE | ||||
| 19 | ILE | MET | ASP | SER | SER | ILE | SER | LYS | GLN | ALA | ||||
| 20 | LEU | SER | GLU | ILE | GLU | THR | ARG | HIS | SER | GLU | ||||
| 21 | ILE | ILE | LYS | LEU | GLU | ASN | SER | ILE | ARG | GLU | ||||
| 22 | LEU | HIS | ASP | MET | PHE | MET | ASP | MET | ALA | MET | ||||
| 23 | LEU | VAL | GLU | SER | GLN | GLY | GLU | MET | ILE | ASP | ||||
| 24 | ARG | ILE | GLU | TYR | ASN | VAL | GLU | HIS | ALA | VAL | ||||
| 25 | ASP | TYR | VAL | GLU | ARG | ALA | VAL | SER | ASP | THR | ||||
| 26 | LYS | LYS |
Entity 3, Trans SNARE Complex, chain 3 206 residues - Formula weight is not available
| 1 | MET | ALA | GLU | ASP | ALA | ASP | MET | ARG | ASN | GLU | ||||
| 2 | LEU | GLU | GLU | MET | GLN | ARG | ARG | ALA | ASP | GLN | ||||
| 3 | LEU | ALA | ASP | GLU | SER | LEU | GLU | SER | THR | ARG | ||||
| 4 | ARG | MET | LEU | GLN | LEU | VAL | GLU | GLU | SER | LYS | ||||
| 5 | ASP | ALA | GLY | ILE | ARG | THR | LEU | VAL | MET | LEU | ||||
| 6 | ASP | GLU | GLN | GLY | GLU | GLN | LEU | ASP | ARG | VAL | ||||
| 7 | GLU | GLU | GLY | MET | ASN | HIS | ILE | ASN | GLN | ASP | ||||
| 8 | MET | LYS | GLU | ALA | GLU | LYS | ASN | LEU | LYS | ASP | ||||
| 9 | LEU | GLY | LYS | CYS | CYS | GLY | LEU | PHE | ILE | CYS | ||||
| 10 | PRO | CYS | ASN | LYS | LEU | LYS | SER | SER | ASP | ALA | ||||
| 11 | TYR | LYS | LYS | ALA | TRP | GLY | ASN | ASN | GLN | ASP | ||||
| 12 | GLY | VAL | VAL | ALA | SER | GLN | PRO | ALA | ARG | VAL | ||||
| 13 | VAL | ASP | GLU | ARG | GLU | GLN | MET | ALA | ILE | SER | ||||
| 14 | GLY | GLY | PHE | ILE | ARG | ARG | VAL | THR | ASN | ASP | ||||
| 15 | ALA | ARG | GLU | ASN | GLU | MET | ASP | GLU | ASN | LEU | ||||
| 16 | GLU | GLN | VAL | SER | GLY | ILE | ILE | GLY | ASN | LEU | ||||
| 17 | ARG | HIS | MET | ALA | LEU | ASP | MET | GLY | ASN | GLU | ||||
| 18 | ILE | ASP | THR | GLN | ASN | ARG | GLN | ILE | ASP | ARG | ||||
| 19 | ILE | MET | GLU | LYS | ALA | ASP | SER | ASN | LYS | THR | ||||
| 20 | ARG | ILE | ASP | GLU | ALA | ASN | GLN | ARG | ALA | THR | ||||
| 21 | LYS | MET | LEU | GLY | SER | GLY |
Samples:
sample_1: H2O 30 % w/w; synaptobrevin-2, [U-100% 13C; U-100% 15N], 18 % w/w; lipid 6 % w/w; SNAP-25 23 % w/w; Syx-1A 23 % w/w
sample_conditions_1: pH: 7.2; pressure: 1 atm; temperature: 277 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D NCACX | sample_1 | isotropic | sample_conditions_1 |
| 3D NCOCX | sample_1 | isotropic | sample_conditions_1 |
| 3D CONCA | sample_1 | isotropic | sample_conditions_1 |
Software:
SPARKY - chemical shift assignment
NMR spectrometers:
- Bruker Avance 18.8 T MHz