BMRB Entry 19178
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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/BMR19178
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Title: Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5 PubMed: 23672713
Deposition date: 2013-04-18 Original release date: 2013-06-10
Authors: Donaldson, Logan
Citation: Kwan, Jamie; Smirnova, Ekaterina; Khazai, Shahin; Evanics, Ferenc; Maxwell, Karen; Donaldson, Logan. "The Solution Structures of Two Prophage Homologues of the Bacteriophage Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold." Biochemistry 52, 3612-3614 (2013).
Assembly members:
MS1, polymer, 99 residues, 11165.3584 Da.
ZINC ION, non-polymer, 65.409 Da.
Natural source: Common Name: Escherichia 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):
MS1: MKRGVEMSIHDLCEDQEQWA
MQTLMGSGVLARCRIHNDVI
LDSGNDASSAYKLGTYLYQK
DNSCNLFNTLTEARDAIKDA
YESYCGIDDCPQCSKYIDD
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 300 |
| 15N chemical shifts | 85 |
| 1H chemical shifts | 480 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | MS1 | 1 |
| 2 | Zinc Ions | 2 |
Entities:
Entity 1, MS1 99 residues - 11165.3584 Da.
| 1 | MET | LYS | ARG | GLY | VAL | GLU | MET | SER | ILE | HIS | ||||
| 2 | ASP | LEU | CYS | GLU | ASP | GLN | GLU | GLN | TRP | ALA | ||||
| 3 | MET | GLN | THR | LEU | MET | GLY | SER | GLY | VAL | LEU | ||||
| 4 | ALA | ARG | CYS | ARG | ILE | HIS | ASN | ASP | VAL | ILE | ||||
| 5 | LEU | ASP | SER | GLY | ASN | ASP | ALA | SER | SER | ALA | ||||
| 6 | TYR | LYS | LEU | GLY | THR | TYR | LEU | TYR | GLN | LYS | ||||
| 7 | ASP | ASN | SER | CYS | ASN | LEU | PHE | ASN | THR | LEU | ||||
| 8 | THR | GLU | ALA | ARG | ASP | ALA | ILE | LYS | ASP | ALA | ||||
| 9 | TYR | GLU | SER | TYR | CYS | GLY | ILE | ASP | ASP | CYS | ||||
| 10 | PRO | GLN | CYS | SER | LYS | TYR | ILE | ASP | ASP |
Entity 2, Zinc Ions - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_1: MS1, [U-99% 13C; U-99% 15N], 0.6 mM; H2O 90%; D2O 10%
sample_conditions_1: ionic strength: 0.150 M; pH: 7.800; pressure: 1.000 atm; temperature: 289.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| cbcaconh (H[N[co[{CA|ca[C]}]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| hncaco (H[N[ca[CO]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | 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 |
| 2D CBHD | sample_1 | isotropic | sample_conditions_1 |
| 2D CBHE | sample_1 | isotropic | sample_conditions_1 |
Software:
ANALYSIS v2.2, CCPN - peak picking, restraint calculation
CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian Varian 600 MHz
Related Database Links:
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts