BMRB

Biological Magnetic Resonance Data Bank


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BMRB Entry 11423

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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/BMR11423
MolProbity Validation Chart

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Title: Solution structure of the C-terminal domain of the FliK   PubMed: 21510958

Deposition date: 2011-01-01 Original release date: 2011-06-22

Authors: Mizuno, Shino; Tate, Shin-ichi; Kobayashi, Naohiro; Amida, Hirokazu

Citation: Mizuno, Shino; Amida, Hirokazu; Kobayashi, Naohiro; Aizawa, Shin-ichi; Tate, Shin-ichi. "The NMR Structure of FliK, the Trigger for the Switch of Substrate Specificity in the Flagellar Type III Secretion Apparatus"  J. Mol. Biol. 409, 558-573 (2011).

Assembly members:
UNP residues 204-370, polymer, 169 residues, 17773.945 Da.

Natural source:   Common Name: Salmonella typhimurium   Taxonomy ID: 90371   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Salmonella enterica

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli

Entity Sequences (FASTA):
UNP residues 204-370: HMASDDRATGPALTPLVVAA AATSAKVEVDSPPAPVTHGA AMPTLSSATAQPLPVASAPV LSAPLGSHEWQQTFSQQVML FTRQGQQSAQLRLHPEELGQ VHISLKLDDNQAQLQMVSPH SHVRAALEAALPMLRTQLAE SGIQLGQSSISSESFAGQQQ SSSQQQSSR

Data sets:
Data typeCount
13C chemical shifts669
15N chemical shifts162
1H chemical shifts1092

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1UNP residues 204-3701

Entities:

Entity 1, UNP residues 204-370 169 residues - 17773.945 Da.

1   HISMETALASERASPASPARGALATHRGLY
2   PROALALEUTHRPROLEUVALVALALAALA
3   ALAALATHRSERALALYSVALGLUVALASP
4   SERPROPROALAPROVALTHRHISGLYALA
5   ALAMETPROTHRLEUSERSERALATHRALA
6   GLNPROLEUPROVALALASERALAPROVAL
7   LEUSERALAPROLEUGLYSERHISGLUTRP
8   GLNGLNTHRPHESERGLNGLNVALMETLEU
9   PHETHRARGGLNGLYGLNGLNSERALAGLN
10   LEUARGLEUHISPROGLUGLULEUGLYGLN
11   VALHISILESERLEULYSLEUASPASPASN
12   GLNALAGLNLEUGLNMETVALSERPROHIS
13   SERHISVALARGALAALALEUGLUALAALA
14   LEUPROMETLEUARGTHRGLNLEUALAGLU
15   SERGLYILEGLNLEUGLYGLNSERSERILE
16   SERSERGLUSERPHEALAGLYGLNGLNGLN
17   SERSERSERGLNGLNGLNSERSERARG

Samples:

sample_1: UNP residues 204-370, [U-13C; U-15N], 1 mM; sodium phosphate 50 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_2: UNP residues 204-370, [U-13C; U-15N], 1 mM; sodium phosphate 50 mM; EDTA 1 mM; D2O 100%

sample_3: UNP residues 204-370, [U-15N], 1 mM; sodium phosphate 50 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_4: UNP residues 204-370, [U-15N], 0.5 mM; sodium phosphate 50 mM; EDTA 1 mM; D2O 100%

sample_conditions_1: ionic strength: 0 M; pH: 6.4; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HCACOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HNCANNHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-13C dec NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-COSYsample_2isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_2isotropicsample_conditions_1
2D 1H-15N HSQCsample_3isotropicsample_conditions_1
3D 1H-15N NOESYsample_3isotropicsample_conditions_1
3D 1H-15N TOCSYsample_3isotropicsample_conditions_1
3D HNHAsample_3isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-1H TOCSYsample_4isotropicsample_conditions_1

Software:

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

TALOS, Cornilescu, Delaglio and Bax - refinement

MagRO, Naohiro Kobayashi - NMR data analysis

NMRView, Bruce A. Johnson - NMR data analysis

NMR spectrometers:

  • Bruker DMX 600 MHz
  • Bruker Avance 600 MHz

Related Database Links:

PDB
DBJ BAJ36938 BAP07852
EMBL CAR32619 CAR36966 CAR58977 CBG24963 CBW17998
GB AAD15264 AAL20886 AAV76876 AAX65885 ABX66589
REF NP_460927 WP_000631654 WP_000631655 WP_000631658 WP_000631665
SP P26416

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