BMRB Entry 16098
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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/BMR16098
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Title: Solution structure of Apo-form YjaB from Escherichia coli PubMed: 19343803
Deposition date: 2008-12-30 Original release date: 2009-04-17
Authors: Lu, Jie; Wang, Xu; Jin, Changwen
Citation: Lu, Jie; Wang, Xu; Xia, Bin; Jin, Changwen. "Solution structure of Apo-YjaB form Escherichia coli" Proteins 76, 261-265 (2009).
Assembly members:
Apo-form YjaB, polymer, 147 residues, 16464.789 Da.
Natural source: Common Name: E. coli 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):
Apo-form YjaB: MVISIRRSRHEEGEELVAIW
CRSVDATHDFLSAEYRTELE
DLVRSFLPEAPLWVAVNERD
QPVGFMLLSGQHMDALFIDP
DVRGCGVGRVLVEHALSMAP
ELTTNVNEQNEQAVGFYKKV
GFKVTGRSEVDDLGKPYPLL
NLAYVGA
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 622 |
| 15N chemical shifts | 146 |
| 1H chemical shifts | 1013 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | Apo-form YjaB | 1 |
Entities:
Entity 1, Apo-form YjaB 147 residues - 16464.789 Da.
| 1 | MET | VAL | ILE | SER | ILE | ARG | ARG | SER | ARG | HIS | ||||
| 2 | GLU | GLU | GLY | GLU | GLU | LEU | VAL | ALA | ILE | TRP | ||||
| 3 | CYS | ARG | SER | VAL | ASP | ALA | THR | HIS | ASP | PHE | ||||
| 4 | LEU | SER | ALA | GLU | TYR | ARG | THR | GLU | LEU | GLU | ||||
| 5 | ASP | LEU | VAL | ARG | SER | PHE | LEU | PRO | GLU | ALA | ||||
| 6 | PRO | LEU | TRP | VAL | ALA | VAL | ASN | GLU | ARG | ASP | ||||
| 7 | GLN | PRO | VAL | GLY | PHE | MET | LEU | LEU | SER | GLY | ||||
| 8 | GLN | HIS | MET | ASP | ALA | LEU | PHE | ILE | ASP | PRO | ||||
| 9 | ASP | VAL | ARG | GLY | CYS | GLY | VAL | GLY | ARG | VAL | ||||
| 10 | LEU | VAL | GLU | HIS | ALA | LEU | SER | MET | ALA | PRO | ||||
| 11 | GLU | LEU | THR | THR | ASN | VAL | ASN | GLU | GLN | ASN | ||||
| 12 | GLU | GLN | ALA | VAL | GLY | PHE | TYR | LYS | LYS | VAL | ||||
| 13 | GLY | PHE | LYS | VAL | THR | GLY | ARG | SER | GLU | VAL | ||||
| 14 | ASP | ASP | LEU | GLY | LYS | PRO | TYR | PRO | LEU | LEU | ||||
| 15 | ASN | LEU | ALA | TYR | VAL | GLY | ALA |
Samples:
sample_1: TRIS 30 mM; sodium chloride 100 mM; DTT 10 mM; YjaB protein, [U-13C; U-15N], 1 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 130 mM; pH: 7.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe v2.1, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMRView v5, Johnson, One Moon Scientific - data analysis
xwinnmr v3.5, Bruker Biospin - collection
CYANA v2.0, Guntert, Mumenthaler and Wuthrich - structure solution
AMBER v7, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollm - structure refinement
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAE78014 BAI28268 BAI33451 BAI38569 BAJ45724 |
| EMBL | CAA26570 CAQ34361 CAR00982 CAV01265 CBJ03773 |
| GB | AAC43106 AAC76982 AAZ90685 ABB64225 ABV08412 |
| REF | NP_418436 WP_000236960 WP_000236962 WP_000236972 WP_000236973 |
| SP | P09163 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts