BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules 		Member of WWPDB

BMRB Entry 15839

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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/BMR15839
MolProbity Validation Chart

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Title: Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1

Deposition date: 2008-06-28 Original release date: 2008-08-19

Authors: Wu, Yibing; Singarapu, Kiran Kumar; Semesi, Anthony; Yee, Adelinda; Bansal, Sonal; Prestegard, James; Arrowsmith, Cheryl; Szyperski, Thomas

Citation: Wu, Yibing; Singarapu, Kiran Kumar; Semesi, Anthony; Yee, Adelinda; Bansal, Sonal; Prestegard, James; Arrowsmith, Cheryl; Szyperski, Thomas. "Solution structure of protein yiiF from Shigella flexneri serotype 5b (strain 8401) . Northeast Structural Genomics Consortium target sft1"  Not known ., .-..

Assembly members:
yiiF, polymer, 160 residues, 18488.877 Da.

Natural source:   Common Name: Escherichia 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):
yiiF: MNSLAGIDMGRILLDLSNEV IKQLDDLEVQRNLPRADLLR EAVDQYLINQSQTARTSVPG IWQGCEEDGVEYQRKLREEW MNSLAGIDMGRILLDLSNEV IKQLDDLEVQRNLPRADLLR EAVDQYLINQSQTARTSVPG IWQGCEEDGVEYQRKLREEW

Data sets:
Data typeCount
13C chemical shifts261
15N chemical shifts84
1H chemical shifts559

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1yiiF1

Entities:

Entity 1, yiiF 160 residues - 18488.877 Da.

1   METASNSERLEUALAGLYILEASPMETGLY
2   ARGILELEULEUASPLEUSERASNGLUVAL
3   ILELYSGLNLEUASPASPLEUGLUVALGLN
4   ARGASNLEUPROARGALAASPLEULEUARG
5   GLUALAVALASPGLNTYRLEUILEASNGLN
6   SERGLNTHRALAARGTHRSERVALPROGLY
7   ILETRPGLNGLYCYSGLUGLUASPGLYVAL
8   GLUTYRGLNARGLYSLEUARGGLUGLUTRP
9   METASNSERLEUALAGLYILEASPMETGLY
10   ARGILELEULEUASPLEUSERASNGLUVAL
11   ILELYSGLNLEUASPASPLEUGLUVALGLN
12   ARGASNLEUPROARGALAASPLEULEUARG
13   GLUALAVALASPGLNTYRLEUILEASNGLN
14   SERGLNTHRALAARGTHRSERVALPROGLY
15   ILETRPGLNGLYCYSGLUGLUASPGLYVAL
16   GLUTYRGLNARGLYSLEUARGGLUGLUTRP

Samples:

sample_1: entity, [U-100% 13C; U-100% 15N], 0.8 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_2: entity, [U-10% 13C; U-100% 15N], 0.8 mM; H2O 90%; D2O, [U-100% 2H], 10%

sample_conditions_1: ionic strength: 0.3 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
4,3D, GFT HNNCABCAsample_1isotropicsample_conditions_1
4,3D, GFT CABCACONNHsample_1isotropicsample_conditions_1
4,3D, GFT HCCH COSYsample_1isotropicsample_conditions_1
4,3D, GFT HAHB(CABCACO)NNHsample_1isotropicsample_conditions_1
3D, 15N-13C RESOLVEDSIMULTANIOUS NOESYsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

AutoAssign, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

XEASY, Bartels et al. - peak picking

NMR spectrometers:

  • Varian INOVA 750 MHz

Related Database Links:

PDB
DBJ BAG79700 BAJ45617
EMBL CCJ46517 CCK49196 CDP72801 CDP77332 CDU39992
GB AAB03023 AAN45401 AAP18799 AAZ90576 ABB68355
REF NP_709694 WP_001086388 WP_001086390 WP_001087409 WP_001612096

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