BMRB Entry 17734
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17734
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Title: Solution NMR structure of N-terminal domain of Salmonella effector protein PipB2. Northeast structural genomics consortium (NESG) target stt318a
Deposition date: 2011-06-27 Original release date: 2011-07-18
Authors: Lemak, Alexander; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Daniels, Craig; Savchenko, Alexei; Arrowsmith, Cheryl
Citation: Lemak, Alexander; Yee, Adelinda; Houliston, Scott; Garcia, Maite; Daniels, Craig; Savchenko, Alexei; Arrowsmith, Cheryl. "NMR solution structure of N-terminal domain of Salmonella effector protein PipB2" Not known ., .-..
Assembly members:
PipB2, polymer, 145 residues, 13410.311 Da.
Natural source: Common Name: Salmonella typhimurium Taxonomy ID: 99287 Superkingdom: Bacteria Kingdom: not available Genus/species: Salmonella typhimurium
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
PipB2: GAGTSAAMRQATSPKTILEY
IINFFTCGGIRRRNETQYQE
LIETMAETLKSTMPDRGAPL
PENIILDDMDGCRVEFNLPG
ENNEAGQVIVRVSKGDHSET
REIPLASFEKICRALLFRCE
FSLPQDSVILTAQGGMNLKG
AVLTG
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 575 |
| 15N chemical shifts | 133 |
| 1H chemical shifts | 937 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | PipB2 | 1 |
Entities:
Entity 1, PipB2 145 residues - 13410.311 Da.
| 1 | GLY | ALA | GLY | THR | SER | ALA | ALA | MET | ARG | GLN | ||||
| 2 | ALA | THR | SER | PRO | LYS | THR | ILE | LEU | GLU | TYR | ||||
| 3 | ILE | ILE | ASN | PHE | PHE | THR | CYS | GLY | GLY | ILE | ||||
| 4 | ARG | ARG | ARG | ASN | GLU | THR | GLN | TYR | GLN | GLU | ||||
| 5 | LEU | ILE | GLU | THR | MET | ALA | GLU | THR | LEU | LYS | ||||
| 6 | SER | THR | MET | PRO | ASP | ARG | GLY | ALA | PRO | LEU | ||||
| 7 | PRO | GLU | ASN | ILE | ILE | LEU | ASP | ASP | MET | ASP | ||||
| 8 | GLY | CYS | ARG | VAL | GLU | PHE | ASN | LEU | PRO | GLY | ||||
| 9 | GLU | ASN | ASN | GLU | ALA | GLY | GLN | VAL | ILE | VAL | ||||
| 10 | ARG | VAL | SER | LYS | GLY | ASP | HIS | SER | GLU | THR | ||||
| 11 | ARG | GLU | ILE | PRO | LEU | ALA | SER | PHE | GLU | LYS | ||||
| 12 | ILE | CYS | ARG | ALA | LEU | LEU | PHE | ARG | CYS | GLU | ||||
| 13 | PHE | SER | LEU | PRO | GLN | ASP | SER | VAL | ILE | LEU | ||||
| 14 | THR | ALA | GLN | GLY | GLY | MET | ASN | LEU | LYS | GLY | ||||
| 15 | ALA | VAL | LEU | THR | GLY |
Samples:
sample_1: PipB2, [U-13C; U-15N], 0.5 mM; TRIS 10 mM; sodium chloride 300 mM; ZnSO4 10 uM; DTT 10 mM; NaN3 0.01%; benzamidine 10 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: ambient atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D (H)CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY aromatic | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
SPARKY, Goddard - peak picking
FMC, Lemak,Steren,Llinas, Arrowsmith - chemical shift assignment
TALOS, Cornilescu, Delaglio and Bax - data analysis
PSVS, Bhattacharya and Montelione - validation
CYANA, Guntert, Mumenthaler and Wuthrich - structure solution
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 800 MHz
Related Database Links:
| PDB | |
| DBJ | BAJ37775 BAP08680 |
| EMBL | CAR34204 CAR60691 CBG25753 CBW18862 CCW75481 |
| GB | AAL21665 AAS66036 AAV78500 AAX66616 ABX68796 |
| REF | NP_461706 WP_000442272 WP_001540738 WP_001667622 WP_001670212 |
| SP | Q57KZ6 Q5PEX4 Q8ZMM8 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts