BMRB Entry 15270
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15270
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Title: Solution structure of RPA3114, a SEC-C motif containing protein from Rhodopseudomonas palustris; Northeast Structural Genomics Consortium target RpT5 / Ontario Center for Structural Proteomics target RP3097
Deposition date: 2007-05-29 Original release date: 2007-07-17
Authors: Lukin, Jonathan; Gutmanas, Aleksandras; Karra, Murthy; Semesi, Anthony
Citation: Lemak, Alexander; Lukin, Jonathan; Yee, Adelinda; Gutmanas, Aleksandras; Karra, Murthy; Semesi, Anthony; Arrowsmith, Cheryl. "Solution structure of a Se-C motif containing protein from Rhodopseudomonas palustris" Not known ., .-..
Assembly members:
RP3097, polymer, 128 residues, 14665.401 Da.
ZN, non-polymer, 65.409 Da.
Natural source: Common Name: not available 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):
RP3097: MNCVCGSGKTYDDCCGPLLA
RTRSAASPEALMRSRYAAYA
LKDFDYIVETTDPERRDLFD
HDVNRAWMEESDFLELRVLG
SSEKGSRGTVEFIARFRRGG
GPEQSHHERSQFRKARGRWY
FSEGEAVD
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 515 |
| 15N chemical shifts | 121 |
| 1H chemical shifts | 798 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | RP3097 | 1 |
| 2 | ZINC ion | 2 |
Entities:
Entity 1, RP3097 128 residues - 14665.401 Da.
| 1 | MET | ASN | CYS | VAL | CYS | GLY | SER | GLY | LYS | THR | ||||
| 2 | TYR | ASP | ASP | CYS | CYS | GLY | PRO | LEU | LEU | ALA | ||||
| 3 | ARG | THR | ARG | SER | ALA | ALA | SER | PRO | GLU | ALA | ||||
| 4 | LEU | MET | ARG | SER | ARG | TYR | ALA | ALA | TYR | ALA | ||||
| 5 | LEU | LYS | ASP | PHE | ASP | TYR | ILE | VAL | GLU | THR | ||||
| 6 | THR | ASP | PRO | GLU | ARG | ARG | ASP | LEU | PHE | ASP | ||||
| 7 | HIS | ASP | VAL | ASN | ARG | ALA | TRP | MET | GLU | GLU | ||||
| 8 | SER | ASP | PHE | LEU | GLU | LEU | ARG | VAL | LEU | GLY | ||||
| 9 | SER | SER | GLU | LYS | GLY | SER | ARG | GLY | THR | VAL | ||||
| 10 | GLU | PHE | ILE | ALA | ARG | PHE | ARG | ARG | GLY | GLY | ||||
| 11 | GLY | PRO | GLU | GLN | SER | HIS | HIS | GLU | ARG | SER | ||||
| 12 | GLN | PHE | ARG | LYS | ALA | ARG | GLY | ARG | TRP | TYR | ||||
| 13 | PHE | SER | GLU | GLY | GLU | ALA | VAL | ASP |
Entity 2, ZINC ion - Zn - 65.409 Da.
| 1 | ZN |
Samples:
sample_2: entity_1, [U-13C; U-15N], 0.5 mM; TRIS, [U-99% 2H], 10 mM; DTT, [U-99% 2H], 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 1 mM; ZnS04 10 uM; D2O 100%
sample_1: entity_1, [U-13C; U-15N], 0.5 mM; TRIS, [U-99% 2H], 10 mM; DTT, [U-99% 2H], 10 mM; sodium chloride 300 mM; sodium azide 0.1%; benzamidine 1 mM; ZnS04 10 uM; H2O 95%; D2O 5%
sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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 HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D H(CCO)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 |
| 3D HCCH-TOCSY | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY_aliphatic | sample_2 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY_aromatic | sample_2 | isotropic | sample_conditions_1 |
Software:
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, Goddard - peak picking
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement
TALOS, Cornilescu, Delaglio and Bax - data analysis
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
NMR spectrometers:
- Varian INOVA 500 MHz
- Bruker Avance 800 MHz
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts