BMRB Entry 19637
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19637
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Title: NMR solution Structure of the E.coli Outer Membrane Protein W PubMed: 25017731
Deposition date: 2013-11-26 Original release date: 2014-08-04
Authors: Horst, R.; Stanczak, P.; Wuthrich, K
Citation: Horst, Reto; Stanczak, Pawel; Wuthrich, Kurt. "NMR polypeptide backbone conformation of the E. coli outer membrane protein W." Structure 22, 1204-1209 (2014).
Assembly members:
Outer_Membrane_Protein_W, polymer, 192 residues, 21002.574 Da.
Natural source: Common Name: enterobacteria Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
Outer_Membrane_Protein_W: MHEAGEFFMRAGSATVRPTE
GAGGTLGSLGGFSVTNNTQL
GLTFTYMATDNIGVELLAAT
PFRHKIGTRATGDIATVHHL
PPTLMAQWYFGDASSKFRPY
VGAGINYTTFFDNGFNDHGK
EAGLSDLSLKDSWGAAGQVG
VDYLINRDWLVNMSVWYMDI
DTTANYKLGGAQQHDSVRLD
PWVFMFSAGYRF
- assigned_chemical_shifts
| Data type | Count |
| 1H chemical shifts | 177 |
| 13C chemical shifts | 470 |
| 15N chemical shifts | 177 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Outer Membrane Protein X from E. coli | 1 |
Entities:
Entity 1, Outer Membrane Protein X from E. coli 192 residues - 21002.574 Da.
| 1 | MET | HIS | GLU | ALA | GLY | GLU | PHE | PHE | MET | ARG | ||||
| 2 | ALA | GLY | SER | ALA | THR | VAL | ARG | PRO | THR | GLU | ||||
| 3 | GLY | ALA | GLY | GLY | THR | LEU | GLY | SER | LEU | GLY | ||||
| 4 | GLY | PHE | SER | VAL | THR | ASN | ASN | THR | GLN | LEU | ||||
| 5 | GLY | LEU | THR | PHE | THR | TYR | MET | ALA | THR | ASP | ||||
| 6 | ASN | ILE | GLY | VAL | GLU | LEU | LEU | ALA | ALA | THR | ||||
| 7 | PRO | PHE | ARG | HIS | LYS | ILE | GLY | THR | ARG | ALA | ||||
| 8 | THR | GLY | ASP | ILE | ALA | THR | VAL | HIS | HIS | LEU | ||||
| 9 | PRO | PRO | THR | LEU | MET | ALA | GLN | TRP | TYR | PHE | ||||
| 10 | GLY | ASP | ALA | SER | SER | LYS | PHE | ARG | PRO | TYR | ||||
| 11 | VAL | GLY | ALA | GLY | ILE | ASN | TYR | THR | THR | PHE | ||||
| 12 | PHE | ASP | ASN | GLY | PHE | ASN | ASP | HIS | GLY | LYS | ||||
| 13 | GLU | ALA | GLY | LEU | SER | ASP | LEU | SER | LEU | LYS | ||||
| 14 | ASP | SER | TRP | GLY | ALA | ALA | GLY | GLN | VAL | GLY | ||||
| 15 | VAL | ASP | TYR | LEU | ILE | ASN | ARG | ASP | TRP | LEU | ||||
| 16 | VAL | ASN | MET | SER | VAL | TRP | TYR | MET | ASP | ILE | ||||
| 17 | ASP | THR | THR | ALA | ASN | TYR | LYS | LEU | GLY | GLY | ||||
| 18 | ALA | GLN | GLN | HIS | ASP | SER | VAL | ARG | LEU | ASP | ||||
| 19 | PRO | TRP | VAL | PHE | MET | PHE | SER | ALA | GLY | TYR | ||||
| 20 | ARG | PHE |
Samples:
sample_1: Outer Membrane Protein W, [U-13C; U-15N; U-2H], 1.2 mM; H2O 90%; D2O 10%; Sodium Chloride 10 mM
sample_conditions_1: ionic strength: 10 mM; pH: 6.8; pressure: 1 bar; temperature: 308 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| NOESY/HNCA/HNCACB | sample_1 | isotropic | sample_conditions_1 |
| HNCO/HNCOCA/HNCACO | sample_1 | isotropic | sample_conditions_1 |
Software:
CYANA, G??ntert P. - refinement
NMR spectrometers:
- Bruker AVANCE 600 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAA14788 BAG66417 BAG76829 BAJ43052 BAL38320 |
| EMBL | CAA31922 CAP75801 CAQ31757 CAQ98135 CAR12762 |
| GB | AAB60065 AAB60073 AAB60081 AAB60089 AAB60097 |
| REF | NP_415772 NP_707165 WP_000737220 WP_000737221 WP_000737222 |
| SP | P0A915 P0A916 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts