BMRB Entry 15079
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR15079
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Title: Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A.
Deposition date: 2006-12-15 Original release date: 2007-02-23
Authors: Rossi, Paolo; Chen, Chen; Jiang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano
Citation: Rossi, Paolo; Chen, Chen; Jiang, Mei; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T.; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR structure of the ygdR protein from Escherichia coli. Northeast Structural Genomics target ER382A." . ., .-..
Assembly members:
ER382A, polymer, 61 residues, 7052.778 Da.
Natural source: Common Name: E. coli Taxonomy ID: 562 Superkingdom: Bacteria Kingdom: not available Genus/species: Escherichia coli
Experimental source: Production method: recombinant technology Host organism: Escherichia coli
Entity Sequences (FASTA):
ER382A: MSSDYVMATKDGRMILTDGK
PEIDDDTGLVSYHDQQGNAM
QINRDDVSQIIERLEHHHHH
H
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 188 |
| 15N chemical shifts | 50 |
| 1H chemical shifts | 314 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | ER382A | 1 |
Entities:
Entity 1, ER382A 61 residues - 7052.778 Da.
| 1 | MET | SER | SER | ASP | TYR | VAL | MET | ALA | THR | LYS | ||||
| 2 | ASP | GLY | ARG | MET | ILE | LEU | THR | ASP | GLY | LYS | ||||
| 3 | PRO | GLU | ILE | ASP | ASP | ASP | THR | GLY | LEU | VAL | ||||
| 4 | SER | TYR | HIS | ASP | GLN | GLN | GLY | ASN | ALA | MET | ||||
| 5 | GLN | ILE | ASN | ARG | ASP | ASP | VAL | SER | GLN | ILE | ||||
| 6 | ILE | GLU | ARG | LEU | GLU | HIS | HIS | HIS | HIS | HIS | ||||
| 7 | HIS |
Samples:
sample_1: ER382A, [U-100% 13C; U-100% 15N], 1.17 mM; DTT 10 mM; CaCl2 5 mM; NaCl 0.1 M; MES 20 mM; sodium azide 0.02%
sample_conditions_1: ionic strength: 0.1 M; pH: 6.5; pressure: 1 atm; temperature: 293 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 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 HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HBHA(CO)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_1 | isotropic | sample_conditions_1 |
| 3D HN(CO)CACB | sample_1 | isotropic | sample_conditions_1 |
| 3D HCCH-COSY | sample_1 | isotropic | sample_conditions_1 |
| 3D CCH-TOCSY | sample_1 | isotropic | sample_conditions_1 |
Software:
AutoStruct v2.1.1, Huang, Y-J.; Tejero, R.; Powers, R.; Montelione, G.T. - structure solution
NMRPipe v2005, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - structure anaylsis
SPARKY v3.110, Goddard, Kneller - data analysis
Molmol v2K.2, Koradi, Billeter and Wuthrich - structure visualization
CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
Procheck v3.51, Laskowski and MacArthur - structure validation
X-PLOR NIH v2.11.2, Schwieters, Kuszewski, Tjandra and Clore - structure solution
DYANA v1.2, Guntert, Braun and Wuthrich - structure solution
MolProbity v3.01, Richardson - structure validation
QUEEN v1.1, Nabuurs, Spronk, Vriend, Vuister - structure refinement
xwinnmr v3.5, Bruker biospin - data collection
PSVS v1.2, Bhattacharya, Montelione - structure validation
NMR spectrometers:
- Bruker Avance 600 MHz
Related Database Links:
| PDB | |
| DBJ | BAB37113 BAE76902 BAG78614 BAI27097 BAI32140 |
| EMBL | CAP77290 CAQ33159 CAQ90261 CAQ99759 CAR04368 |
| GB | AAB40480 AAC75872 AAG57945 AAN44329 AAN81873 |
| REF | NP_311717 NP_417310 NP_708622 WP_000758652 WP_000758653 |
| SP | P65294 P65295 P65296 P65297 |
Download simulated HSQC data in one of the following formats:
CSV: Backbone
or all simulated shifts
SPARKY: Backbone
or all simulated shifts