BMRB Entry 18263
Click here to enlarge.
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/BMR18263
MolProbity Validation Chart
NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
NMR-STAR v2.1 text file (deprecated)
XML gzip file.
RDF gzip file.
All files associated with the entry
Title: Solution NMR of the specialized apo-acyl carrier protein (RPA2022) from Rhodopseudomonas palustris, Northeast Structural Genomics Consortium Target RpR324
Deposition date: 2012-02-14 Original release date: 2012-03-19
Authors: Ramelot, Theresa; Rossi, Paolo; Yang, Yunhuang; Lee, Hsiau-Wei; Ertekin, Asli; Wang, Huang; Ciccosanti, Colleen; Kohan, Eitan; Maglaqui, Melissa; Janjua, Haleema; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Prestegard, James; Montelione, Gaetano; Kennedy, Michael
Citation: Ramelot, Theresa; Rossi, Paolo; Forouhar, Farhad; Lee, Hsiau-Wei; Yang, Yunhuang; Ni, Shuisong; Unser, Sarah; Lew, Scott; Seetharaman, Jayararaman; Xiao, Rong; Acton, Thomas; Everett, John; Prestegard, James; Hunt, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of the specialized apo-acyl carrier protein RPA2022 from Rhodopseudomonas palustris refined with NH RDCs. Northeast Structural Genomics Consortium Target RpR324." Not known ., .-..
Assembly members:
entity, polymer, 101 residues, 11309.831 Da.
Natural source: Common Name: Rhodopseudomonas palustris Taxonomy ID: 1076 Superkingdom: Bacteria Kingdom: not available Genus/species: Rhodopseudomonas palustris
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
entity: MTSTFDRVATIIAETCDIPR
ETITPESHAIDDLGIDSLDF
LDIAFAIDKAFGIKLPLEKW
TQEVNDGKATTEQYFVLKNL
AARIDELVAAKGALEHHHHH
H
- assigned_chemical_shifts
- spectral_peak_list
| Data type | Count |
| 13C chemical shifts | 436 |
| 15N chemical shifts | 102 |
| 1H chemical shifts | 690 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RPA2022 | 1 |
Entities:
Entity 1, RPA2022 101 residues - 11309.831 Da.
| 1 | MET | THR | SER | THR | PHE | ASP | ARG | VAL | ALA | THR | ||||
| 2 | ILE | ILE | ALA | GLU | THR | CYS | ASP | ILE | PRO | ARG | ||||
| 3 | GLU | THR | ILE | THR | PRO | GLU | SER | HIS | ALA | ILE | ||||
| 4 | ASP | ASP | LEU | GLY | ILE | ASP | SER | LEU | ASP | PHE | ||||
| 5 | LEU | ASP | ILE | ALA | PHE | ALA | ILE | ASP | LYS | ALA | ||||
| 6 | PHE | GLY | ILE | LYS | LEU | PRO | LEU | GLU | LYS | TRP | ||||
| 7 | THR | GLN | GLU | VAL | ASN | ASP | GLY | LYS | ALA | THR | ||||
| 8 | THR | GLU | GLN | TYR | PHE | VAL | LEU | LYS | ASN | LEU | ||||
| 9 | ALA | ALA | ARG | ILE | ASP | GLU | LEU | VAL | ALA | ALA | ||||
| 10 | LYS | GLY | ALA | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 11 | HIS |
Samples:
NC_sample: protein, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 5 mM; calcium chloride 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; DSS 5 ± .25 uM; H2O 90%; D2O 10%
NC_sample_in_D2O: protein, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 5 mM; calcium chloride 5 ± 0.25 mM; sodium azide 0.02 ± 0.001 %; DTT 10 ± 0.5 mM; DSS 5 ± .25 uM; D2O 100%
sample_conditions_1: pH: 6.5; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aromatic | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | NC_sample_in_D2O | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | NC_sample | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY_aliph | NC_sample | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY_arom | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-15N hetNOE | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-15N T1 | NC_sample | isotropic | sample_conditions_1 |
| 2D 1H-15N T2 | NC_sample | isotropic | sample_conditions_1 |
| 1D 15N T1 | NC_sample | isotropic | sample_conditions_1 |
| 1D 15N T2 | NC_sample | isotropic | sample_conditions_1 |
Software:
NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
VNMR v6.1C, Varian - collection
TOPSPIN v2.1.4, Bruker Biospin - collection
CNS v1.3, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
SPARKY v3.113, Goddard - data analysis
PSVS v1.4, Bhattacharya and Montelione - refinement
PDBStat v5.4, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution
CYANA_3.0 v3.0, Guntert, Mumenthaler and Wuthrich - structure solution
FMCGUI, Alex Lemak, University of Toronto - refinement
PALES vpales_linux, Zweckstetter - refinement
NMR spectrometers:
- Varian INOVA 600 MHz
- Bruker AvanceIII 850 MHz
- Bruker AvanceIII 600 MHz
Related Database Links:
| BMRB | 16805 18032 |
| PDB | |
| EMBL | CAE27463 |
| GB | ABD08049 ABE39325 ACF00754 ADU45059 KPF96758 |
| REF | WP_011157577 WP_011442233 WP_054163491 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts