BMRB Entry 26963
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR26963
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Title: PSEUDOMONAS AERUGINOSA ICP
Deposition date: 2016-11-30 Original release date: 2016-12-02
Authors: Fu, Yinan; Smith, Brian
Citation: Fu, Yinan. "Structure and Dynamics of Pseudomonas Aeruginosa Icp" Thesis University of Glasgow .
Assembly members:
paicphis, polymer, 132 residues, 14563.1313 Da.
Natural source: Common Name: Pseudomonas aeruginosa Taxonomy ID: 287 Superkingdom: Bacteria Kingdom: not available Genus/species: Pseudomonas aeruginosa
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
paicphis: MGSSHHHHHHSSGLVPRGSH
MQKPVVTLDDADDCSPLKLT
QGQELVLTLPSNPTTGFRWE
LRNPAASVLKRLGPEVYSNS
EEDSGLVGSGGESTWRFRVA
ASGDDRLELVYRRPWEKDAE
PAESFSCAIQVR
- assigned_chemical_shifts
- spectral_peak_list
- peak_list_1
- peak_list_1_2
- peak_list_1_2_3
- peak_list_1_2_3_4
- peak_list_1_2_3_4_5
- peak_list_1_2_3_4_5_6
- peak_list_1_2_3_4_5_6_7
- peak_list_1_2_3_4_5_6_7_8
- peak_list_1_2_3_4_5_6_7_8_9
- peak_list_1_2_3_4_5_6_7_8_9_10
- peak_list_1_2_3_4_5_6_7_8_9_10_11
- peak_list_1_2_3_4_5_6_7_8_9_10_11_12
- peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13
- peak_list_1_2_3_4_5_6_7_8_9_10_11_12_13_14
| Data type | Count |
| 13C chemical shifts | 380 |
| 15N chemical shifts | 105 |
| 1H chemical shifts | 761 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | paicphis | 1 |
Entities:
Entity 1, paicphis 132 residues - 14563.1313 Da.
| 1 | MET | GLY | SER | SER | HIS | HIS | HIS | HIS | HIS | HIS | ||||
| 2 | SER | SER | GLY | LEU | VAL | PRO | ARG | GLY | SER | HIS | ||||
| 3 | MET | GLN | LYS | PRO | VAL | VAL | THR | LEU | ASP | ASP | ||||
| 4 | ALA | ASP | ASP | CYS | SER | PRO | LEU | LYS | LEU | THR | ||||
| 5 | GLN | GLY | GLN | GLU | LEU | VAL | LEU | THR | LEU | PRO | ||||
| 6 | SER | ASN | PRO | THR | THR | GLY | PHE | ARG | TRP | GLU | ||||
| 7 | LEU | ARG | ASN | PRO | ALA | ALA | SER | VAL | LEU | LYS | ||||
| 8 | ARG | LEU | GLY | PRO | GLU | VAL | TYR | SER | ASN | SER | ||||
| 9 | GLU | GLU | ASP | SER | GLY | LEU | VAL | GLY | SER | GLY | ||||
| 10 | GLY | GLU | SER | THR | TRP | ARG | PHE | ARG | VAL | ALA | ||||
| 11 | ALA | SER | GLY | ASP | ASP | ARG | LEU | GLU | LEU | VAL | ||||
| 12 | TYR | ARG | ARG | PRO | TRP | GLU | LYS | ASP | ALA | GLU | ||||
| 13 | PRO | ALA | GLU | SER | PHE | SER | CYS | ALA | ILE | GLN | ||||
| 14 | VAL | ARG |
Samples:
sample_1: PA-ICP, [U-100% 13C; U-100% 15N], 1 mM; Na2HPO4 25 mM; NaCl 75 mM; azide 0.01%
sample_conditions_1: ionic strength: 0.125 M; pH: 7.2; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| hbcbcgcdcehe (H[C[caro]]) | sample_1 | isotropic | sample_conditions_1 |
| hbcbcgcdhd (H[C[caro]]) | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
| newCBCACONH (H[N[co[{CA|ca[C]}]]]) | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D C(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | 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 1H-15N HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC/HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - structure calculation
CcpNmr_Analysis v2.4, CCPN - data analysis
azara vany, Boucher - processing
topspin vany, Bruker Biospin - collection
CCPNMR_Analysis v1.0, CCPN - data analysis
NMR spectrometers:
- Bruker Avance 600 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts