BMRB Entry 18181
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18181
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Title: Solution structure of GspC-HR of typeII secretion system PubMed: 22253442
Deposition date: 2012-01-05 Original release date: 2012-03-09
Authors: Gu, Shuang; Kelly, Geoff; Pickersgill, Richard
Citation: Gu, Shuang; Kelly, Geoff; Wang, Xiaohui; Frenkiel, Tom; Shevchik, Vladimir; Pickersgill, Richard. "Solution structure of homology region (HR) domain of type II secretion system." J. Biol. Chem. 287, 9072-9080 (2012).
Assembly members:
entity, polymer, 104 residues, 11138.382 Da.
Natural source: Common Name: Dickeya dadantii Taxonomy ID: 204038 Superkingdom: Bacteria Kingdom: not available Genus/species: Dickeya dadantii
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: GSHMLEMAGALDASQMSNLP
PSTLNLSLTGVMAGDDDSRS
IAIISKDNEQFSRGVNEEVP
GYNAKIVSIRPDRVVLQYQG
RYEVLGLYSQEDSGSDGVPG
AQVR
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 260 |
| 15N chemical shifts | 72 |
| 1H chemical shifts | 436 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GspC-HR of typeII secretion system | 1 |
Entities:
Entity 1, GspC-HR of typeII secretion system 104 residues - 11138.382 Da.
| 1 | GLY | SER | HIS | MET | LEU | GLU | MET | ALA | GLY | ALA | ||||
| 2 | LEU | ASP | ALA | SER | GLN | MET | SER | ASN | LEU | PRO | ||||
| 3 | PRO | SER | THR | LEU | ASN | LEU | SER | LEU | THR | GLY | ||||
| 4 | VAL | MET | ALA | GLY | ASP | ASP | ASP | SER | ARG | SER | ||||
| 5 | ILE | ALA | ILE | ILE | SER | LYS | ASP | ASN | GLU | GLN | ||||
| 6 | PHE | SER | ARG | GLY | VAL | ASN | GLU | GLU | VAL | PRO | ||||
| 7 | GLY | TYR | ASN | ALA | LYS | ILE | VAL | SER | ILE | ARG | ||||
| 8 | PRO | ASP | ARG | VAL | VAL | LEU | GLN | TYR | GLN | GLY | ||||
| 9 | ARG | TYR | GLU | VAL | LEU | GLY | LEU | TYR | SER | GLN | ||||
| 10 | GLU | ASP | SER | GLY | SER | ASP | GLY | VAL | PRO | GLY | ||||
| 11 | ALA | GLN | VAL | ARG |
Samples:
sample_1: OutC-HRF3, [U-100% 13C; U-100% 15N], 0.5 mM; Tis 20 mM; D2O 10%; H2O 90%
sample_conditions_1: ionic strength: 0 M; pH: 7.0; pressure: 1 atm; temperature: 288 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HNHA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | anisotropic | sample_conditions_1 |
Software:
TALOS, Cornilescu, Delaglio and Bax - data analysis
ARIA v1.2, Linge, O, . - refinement
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
TOPSPIN, Bruker Biospin - collection
VNMR, Varian - collection
NMR spectrometers:
- Bruker Avance 700 MHz
- Bruker Avance 600 MHz
- Varian INOVA 800 MHz
- Varian INOVA 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts