BMRB Entry 25210
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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/BMR25210
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Title: Shotgun proteolysis: A practical application
Deposition date: 2014-09-09 Original release date: 2014-09-15
Authors: Allen, Mark; Bycroft, M.; Freund, S.; Christ, D.
Citation: Allen, Mark; Bycroft, M.; Freund, S.; Christ, D.. "Shotgun proteolysis: A practical application" To Be Published ., .-..
Assembly members:
PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG, polymer, 120 residues,   13419.934 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):
PUTATIVE_MEMBRANE_PROTEIN_IGAA_HOMOLOG: MAFADAQTRKLTPEERSAVE
NYLESLTQVLQVPGPTGASA
APISLALNAESNNVMMLTHA
ITRYGISTDDPNKWRYYLDS
VEVHLPPFWEQYINDENTVE
LIHTDSLPLVISLNGHTLQE
- assigned_chemical_shifts
 
| Data type | Count | 
| 1H chemical shifts | 853 | 
| 13C chemical shifts | 524 | 
| 15N chemical shifts | 111 | 
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID | 
|---|---|---|
| 1 | PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG | 1 | 
Entities:
Entity 1, PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG 120 residues - 13419.934 Da.
| 1 | MET | ALA | PHE | ALA | ASP | ALA | GLN | THR | ARG | LYS | |
| 2 | LEU | THR | PRO | GLU | GLU | ARG | SER | ALA | VAL | GLU | |
| 3 | ASN | TYR | LEU | GLU | SER | LEU | THR | GLN | VAL | LEU | |
| 4 | GLN | VAL | PRO | GLY | PRO | THR | GLY | ALA | SER | ALA | |
| 5 | ALA | PRO | ILE | SER | LEU | ALA | LEU | ASN | ALA | GLU | |
| 6 | SER | ASN | ASN | VAL | MET | MET | LEU | THR | HIS | ALA | |
| 7 | ILE | THR | ARG | TYR | GLY | ILE | SER | THR | ASP | ASP | |
| 8 | PRO | ASN | LYS | TRP | ARG | TYR | TYR | LEU | ASP | SER | |
| 9 | VAL | GLU | VAL | HIS | LEU | PRO | PRO | PHE | TRP | GLU | |
| 10 | GLN | TYR | ILE | ASN | ASP | GLU | ASN | THR | VAL | GLU | |
| 11 | LEU | ILE | HIS | THR | ASP | SER | LEU | PRO | LEU | VAL | |
| 12 | ILE | SER | LEU | ASN | GLY | HIS | THR | LEU | GLN | GLU | 
Samples:
sample_1: PUTATIVE MEMBRANE PROTEIN IGAA HOMOLOG, [U-13C; U-15N], 1.5 mM; potassium phosphate 20 mM; NaCl 100 mM
sample_conditions_1: ionic strength: 120.000 mM; pH: 6.500; pressure: 1 atm; temperature: 293.000 K
Experiments:
| Name | Sample | Sample state | Sample conditions | 
|---|---|---|---|
| 1H-15N HSQC | sample_1 | solution | sample_conditions_1 | 
| 1H-13C HSQC | sample_1 | solution | sample_conditions_1 | 
| HNCACB | sample_1 | solution | sample_conditions_1 | 
| CBCA(CO)NH | sample_1 | solution | sample_conditions_1 | 
| HNCO | sample_1 | solution | sample_conditions_1 | 
| HN(CA)CO | sample_1 | solution | sample_conditions_1 | 
| HNHB | sample_1 | solution | sample_conditions_1 | 
| 1H-NOESY | sample_1 | solution | sample_conditions_1 | 
| 1H-DQF-COSY | sample_1 | solution | sample_conditions_1 | 
| 1H-TOCSY | sample_1 | solution | sample_conditions_1 | 
Software:
Ansig vany, Kraulis - chemical shift assignment
AutoDep v4.3, PDBe - chemical shift assignment
CNS vany, Brunger, Adams, Clore, Gros, Nilges and Read - chemical shift assignment
NMR spectrometers:
- Bruker Avance 500 MHz
 - Bruker Avance 600 MHz
 - Bruker Avance 800 MHz
 
Related Database Links:
| UNP | IGAA_ECOLI | 
| PDB | |
| DBJ | BAB37663 BAE77893 BAG79184 BAI27656 BAI32826 | 
| EMBL | CAP77845 CAQ33719 CAR00337 CAR04998 CAR10194 | 
| GB | AAA58195 AAC76423 AAG58498 AAN44877 AAN82607 | 
| REF | NP_312267 NP_417857 NP_709170 WP_000104248 WP_000104249 | 
| SP | P45800 P58720 | 
Download simulated HSQC data in one of the following formats:
            
CSV: Backbone
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SPARKY: Backbone
            or all simulated shifts