BMRB Entry 18871
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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18871
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Title: Solution structure of a chaperone in type III secretion system PubMed: 23523349
Deposition date: 2012-12-03 Original release date: 2013-04-08
Authors: Chen, Li; Economou, Anastassios; Kalodimos, Charalampos G.
Citation: Chen, Li; Ai, Xuanjun; Portaliou, Athina; Minetti, Conceicao A.S.A.; Remeta, David P.; Economou, Anastassios; Kalodimos, Charalampos G.. "Substrate-Activated Conformational Switch on Chaperones Encodes a Targeting Signal in Type III Secretion" Cell. Rep. 3, 709-715 (2013).
Assembly members:
CesAB, polymer, 107 residues, 12260.241 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):
CesAB: MSIVSQTRNKELLLKKIDSL
IEAIKKIIAEFDVVKESVNE
LSEKAKTDPQAAEKLNKLIE
GYTYGEERKLYDSALSKIEK
LIETLSPARSKSQSTMNQRN
RNNRKIV
- assigned_chemical_shifts
| Data type | Count |
| 13C chemical shifts | 203 |
| 15N chemical shifts | 60 |
| 1H chemical shifts | 60 |
Additional metadata:
Assembly:
| Entity Assembly ID | Entity Name | Entity ID |
|---|---|---|
| 1 | chaperone in type III secretion system, 1 | 1 |
| 2 | chaperone in type III secretion system, 2 | 1 |
Entities:
Entity 1, chaperone in type III secretion system, 1 107 residues - 12260.241 Da.
| 1 | MET | SER | ILE | VAL | SER | GLN | THR | ARG | ASN | LYS | ||||
| 2 | GLU | LEU | LEU | LEU | LYS | LYS | ILE | ASP | SER | LEU | ||||
| 3 | ILE | GLU | ALA | ILE | LYS | LYS | ILE | ILE | ALA | GLU | ||||
| 4 | PHE | ASP | VAL | VAL | LYS | GLU | SER | VAL | ASN | GLU | ||||
| 5 | LEU | SER | GLU | LYS | ALA | LYS | THR | ASP | PRO | GLN | ||||
| 6 | ALA | ALA | GLU | LYS | LEU | ASN | LYS | LEU | ILE | GLU | ||||
| 7 | GLY | TYR | THR | TYR | GLY | GLU | GLU | ARG | LYS | LEU | ||||
| 8 | TYR | ASP | SER | ALA | LEU | SER | LYS | ILE | GLU | LYS | ||||
| 9 | LEU | ILE | GLU | THR | LEU | SER | PRO | ALA | ARG | SER | ||||
| 10 | LYS | SER | GLN | SER | THR | MET | ASN | GLN | ARG | ASN | ||||
| 11 | ARG | ASN | ASN | ARG | LYS | ILE | VAL |
Samples:
sample_1: CesAB (Type III secretion system, chaperone for EspA and EspB), [U-13C; U-15N; U-2H], 13CH3-Ala, Ile, Val, Leu, 500 mM; KPi 50 mM; KCl 300 mM
sample_conditions_1: ionic strength: 0.3 M; pH: 6.5; pressure: 1 atm; temperature: 321 K
Experiments:
| Name | Sample | Sample state | Sample conditions |
|---|---|---|---|
| 2D 1H-15N HSQC | sample_1 | isotropic | sample_conditions_1 |
| 2D 1H-13C HSQC aliphatic | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCO | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCA | sample_1 | isotropic | sample_conditions_1 |
| 3D HNCACB | sample_1 | isotropic | sample_conditions_1 |
| 3D CBCA(CO)NH | sample_1 | isotropic | sample_conditions_1 |
| 3D 1H-15N NOESY | sample_1 | isotropic | sample_conditions_1 |
| 3D HMQC-NOESY-HMQC | sample_1 | isotropic | sample_conditions_1 |
Software:
CNS, Brunger, Adams, Clore, Gros, Nilges and Read - structure solution
NMR spectrometers:
- Bruker Avance 700 MHz
Related Database Links:
| BMRB | 17856 |
| PDB | |
| DBJ | BAB38009 BAI37555 |
| EMBL | CAG17512 CAS11514 CAX18596 CAX18671 CAX18751 |
| GB | AAC31531 AAC38366 AAG58850 ACG59648 ACG59706 |
| REF | NP_312613 WP_000029559 WP_032306487 WP_032310654 WP_032316691 |
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