BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18871

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

Data sets:
Data typeCount
13C chemical shifts203
15N chemical shifts60
1H chemical shifts60

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1chaperone in type III secretion system, 11
2chaperone in type III secretion system, 21

Entities:

Entity 1, chaperone in type III secretion system, 1 107 residues - 12260.241 Da.

1   METSERILEVALSERGLNTHRARGASNLYS
2   GLULEULEULEULYSLYSILEASPSERLEU
3   ILEGLUALAILELYSLYSILEILEALAGLU
4   PHEASPVALVALLYSGLUSERVALASNGLU
5   LEUSERGLULYSALALYSTHRASPPROGLN
6   ALAALAGLULYSLEUASNLYSLEUILEGLU
7   GLYTYRTHRTYRGLYGLUGLUARGLYSLEU
8   TYRASPSERALALEUSERLYSILEGLULYS
9   LEUILEGLUTHRLEUSERPROALAARGSER
10   LYSSERGLNSERTHRMETASNGLNARGASN
11   ARGASNASNARGLYSILEVAL

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:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D HMQC-NOESY-HMQCsample_1isotropicsample_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

Download simulated HSQC data in one of the following formats:
CSV: Backbone or all simulated shifts
SPARKY: Backbone or all simulated shifts