BMRB Entry 16406
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16406
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Title: Solution structure of peptidyl-prolyl cis-trans isomerase from Burkholderia pseudomallei. Seattle Structure Genomics Center for Infectious Disease (SSGCID)
Deposition date: 2009-07-13 Original release date: 2009-07-23
Authors: Zheng, Suxin; Leeper, Thomas; Varani, Gabriele
Citation: Zheng, Suxin; Leeper, Thomas; Varani, Gabriele. "Null" To be Published ., .-..
Assembly members:
peptidyl-prolyl cis-trans isomerase, polymer, 117 residues, 12239.810 Da.
Natural source: Common Name: Burkholderia pseudomallei Taxonomy ID: 28450 Superkingdom: Bacteria Kingdom: not available Genus/species: Burkholderia pseudomallei
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
peptidyl-prolyl cis-trans isomerase: GPGSMTVVTTESGLKYEDLT
EGSGAEARAGQTVSVHYTGW
LTDGQKFDSSKDRNDPFAFV
LGGGMVIKGWDEGVQGMKVG
GVRRLTIPPQLGYGARGAGG
VIPPNATLVFEVELLDV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 322 |
| 15N chemical shifts | 109 |
| 1H chemical shifts | 748 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | peptidyl-prolyl cis-trans isomerase | 1 |
Entities:
Entity 1, peptidyl-prolyl cis-trans isomerase 117 residues - 12239.810 Da.
| 1 | GLY | PRO | GLY | SER | MET | THR | VAL | VAL | THR | THR | ||||
| 2 | GLU | SER | GLY | LEU | LYS | TYR | GLU | ASP | LEU | THR | ||||
| 3 | GLU | GLY | SER | GLY | ALA | GLU | ALA | ARG | ALA | GLY | ||||
| 4 | GLN | THR | VAL | SER | VAL | HIS | TYR | THR | GLY | TRP | ||||
| 5 | LEU | THR | ASP | GLY | GLN | LYS | PHE | ASP | SER | SER | ||||
| 6 | LYS | ASP | ARG | ASN | ASP | PRO | PHE | ALA | PHE | VAL | ||||
| 7 | LEU | GLY | GLY | GLY | MET | VAL | ILE | LYS | GLY | TRP | ||||
| 8 | ASP | GLU | GLY | VAL | GLN | GLY | MET | LYS | VAL | GLY | ||||
| 9 | GLY | VAL | ARG | ARG | LEU | THR | ILE | PRO | PRO | GLN | ||||
| 10 | LEU | GLY | TYR | GLY | ALA | ARG | GLY | ALA | GLY | GLY | ||||
| 11 | VAL | ILE | PRO | PRO | ASN | ALA | THR | LEU | VAL | PHE | ||||
| 12 | GLU | VAL | GLU | LEU | LEU | ASP | VAL |
Samples:
C13_N15-labeled: entity, [U-100% 13C; U-100% 15N], 0.5 mM; potassium phosphate 20 mM; potassium chloride 100 mM; H2O 95%; D2O 5%
N15-labeled: entity, [U-100% 15N], 0.5 mM; potassium phosphate 20 mM; potassium chloride 100 mM; H2O 95%; D2O 5%
N15-labeled_2: entity, [U-100% 15N], 0.5 mM; potassium phosphate 20 mM; potassium chloride 100 mM; D2O 100%
sample_conditions_1: ionic strength: 100 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D CBCA(CO)NH | C13_N15-labeled | isotropic | sample_conditions_1 |
| 3D HNCACB | C13_N15-labeled | isotropic | sample_conditions_1 |
| 3D HNCA | C13_N15-labeled | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | C13_N15-labeled | isotropic | sample_conditions_1 |
| 3D HCCH-TOCSY | C13_N15-labeled | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | C13_N15-labeled | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | N15-labeled | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | N15-labeled | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | N15-labeled_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H TOCSY | N15-labeled_2 | isotropic | sample_conditions_1 |
| 2D 1H-1H NOESY | N15-labeled_2 | isotropic | sample_conditions_1 |
| 3D 1H-15N TOCSY | N15-labeled | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, P.GUNTERT ET AL. - refinement, structure solution
ANALYSIS v1.0, CCPN - chemical shift assignment
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Bruker AMX 600 MHz
- Bruker AMX 750 MHz
Related Database Links:
| BMRB | 16491 17151 |
| PDB | |
| EMBL | CAH39299 CDU31864 CFB51428 CFD89802 CFD92609 |
| GB | ABA51599 ABC34056 ABN85861 ABN94560 AFI70186 |
| REF | WP_004525093 WP_004537279 WP_009895623 WP_010110204 WP_010120234 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts