BMRB Entry 16403
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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/BMR16403
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Title: SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)
Deposition date: 2009-07-10 Original release date: 2009-07-13
Authors: Leeper, Thomas; Varani, Gabriele; Zheng, Suxin
Citation: Leeper, Thomas; Varani, Gabriele; Zheng, Suxin. "SOLUTION STRUCTURE OF GLUTAREDOXIN FROM Bartonella henselae str. Houston. Seattle Structure Genomics Center for Infectious Disease (SSGCID)" To be Published ., .-..
Assembly members:
GLUTAREDOXIN, polymer, 89 residues, 10078.538 Da.
Natural source: Common Name: Bartonella henselae Taxonomy ID: 283166 Superkingdom: Bacteria Kingdom: not available Genus/species: Bartonella henselae
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
GLUTAREDOXIN: GPGSMKEIILYTRPNCPYCK
RARDLLDKKGVKYTDIDAST
SLRQEMVQRANGRNTFPQIF
IGDYHVGGCDDLYALENKGK
LDSLLQDVH
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 281 |
| 15N chemical shifts | 90 |
| 1H chemical shifts | 588 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | GLUTAREDOXIN | 1 |
Entities:
Entity 1, GLUTAREDOXIN 89 residues - 10078.538 Da.
| 1 | GLY | PRO | GLY | SER | MET | LYS | GLU | ILE | ILE | LEU | ||||
| 2 | TYR | THR | ARG | PRO | ASN | CYS | PRO | TYR | CYS | LYS | ||||
| 3 | ARG | ALA | ARG | ASP | LEU | LEU | ASP | LYS | LYS | GLY | ||||
| 4 | VAL | LYS | TYR | THR | ASP | ILE | ASP | ALA | SER | THR | ||||
| 5 | SER | LEU | ARG | GLN | GLU | MET | VAL | GLN | ARG | ALA | ||||
| 6 | ASN | GLY | ARG | ASN | THR | PHE | PRO | GLN | ILE | PHE | ||||
| 7 | ILE | GLY | ASP | TYR | HIS | VAL | GLY | GLY | CYS | ASP | ||||
| 8 | ASP | LEU | TYR | ALA | LEU | GLU | ASN | LYS | GLY | LYS | ||||
| 9 | LEU | ASP | SER | LEU | LEU | GLN | ASP | VAL | HIS |
Samples:
sample_1: entity, [U-100% 15N], 0.5 ± 0.05 mM; potassium phosphate 100 ± 0 mM; potassium chloride 10 ± 0 mM; D2O 8 ± 0 %; H2O 92 ± 0 %
sample_2: entity, [U-98% 13C; U-98% 15N], 0.8 ± 0.05 mM; potassium phosphate 100 ± 0 mM; potassium chloride 10 ± 0 mM; D2O 8 ± 0 %; H2O 92 ± 0 %
sample_conditions_1: ionic strength: 110 mM; pH: 7; pressure: 1 atm; temperature: 298 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 3D 1H-15N TOCSY | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CA | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-13C NOESY | sample_1 | isotropic | sample_conditions_1 |
Software:
NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing
CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution
SPARKY, CCPN - chemical shift assignment
TOPSPIN, Bruker Biospin - collection
NMR spectrometers:
- Bruker Avance 500 MHz
- Bruker Avance 600 MHz
- Bruker Avance 750 MHz
Related Database Links:
| PDB | |
| EMBL | CAF27210 CDO39798 CDO46401 CUH90372 |
| GB | ETS07795 ETS10040 ETS10550 ETS12211 KEC58084 |
| REF | WP_011180337 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts