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BMRB Entry 15491

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR15491
MolProbity Validation Chart

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Title: Solution NMR structure of uncharacterized protein Q5E7H1 from Vibrio fischeri. Northeast Structural Genomics target VfR117.

Deposition date: 2007-09-26 Original release date: 2007-09-26

Authors: Aramini, James; Wang, Dongyan; Nwosu, Chioma; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano

Citation: Aramini, James; Wang, Dongyan; Nwosu, Chioma; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano. "Solution NMR structure of uncharacterized protein Q5E7H1 from Vibrio fischeri. Northeast Structural Genomics target VfR117."  . ., .-..

Assembly members:
VfR117, polymer, 88 residues, 10724.2 Da.

Natural source:   Common Name: Vibrio fischeri   Taxonomy ID: 668   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Vibrio fischeri

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

Entity Sequences (FASTA):
VfR117: MALIMTQQNNPLHGITLQKL LTELVEHYGWEELSYMVNIN CFKKDPSIKSSLKFLRKTDW ARERVENIYLKLQRHKERNQ LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts399
15N chemical shifts94
1H chemical shifts631

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VfR1171

Entities:

Entity 1, VfR117 88 residues - 10724.2 Da.

1   METALALEUILEMETTHRGLNGLNASNASN
2   PROLEUHISGLYILETHRLEUGLNLYSLEU
3   LEUTHRGLULEUVALGLUHISTYRGLYTRP
4   GLUGLULEUSERTYRMETVALASNILEASN
5   CYSPHELYSLYSASPPROSERILELYSSER
6   SERLEULYSPHELEUARGLYSTHRASPTRP
7   ALAARGGLUARGVALGLUASNILETYRLEU
8   LYSLEUGLNARGHISLYSGLUARGASNGLN
9   LEUGLUHISHISHISHISHISHIS

Samples:

sample_1: VfR117, [U-100% 13C; U-100% 15N], 0.95 mM; ammonium acetate 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%

sample_2: VfR117, [U-5% 13C; U-100% 15N], 1.08 mM; ammonium acetate 20 mM; sodium chloride 100 mM; calcium chloride 5 mM; DTT 10 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 0.1 M; pH: 4.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC (aliph)sample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSY aromaticsample_1isotropicsample_conditions_1
3D simultaneous CN-NOESYsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-13C HSQC stereospecific Leu/Val methylsample_2isotropicsample_conditions_1
2D 1H-13C HSQC (arom)sample_1isotropicsample_conditions_1

Software:

TOPSPIN v1.3, Bruker Biospin - collection

AutoAssign v2.4.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - structure solution

NMRPipe v2.3, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

AutoStruct v2.1.1, Huang, Tejero, Powers and Montelione - RPF analysis

PSVS v1.3, Bhattacharya and Montelione - structure validation

PDBStat v5.0, Tejero and Montelione - PDB analysis

SPARKY v3.110, Goddard - data analysis, peak picking

CNS v1.1, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz

Related Database Links:

SWS Q5E7H1
PDB
GB AAW85025 ACH67110 EHN71339 KLU77875
REF WP_005417766 WP_011261295 YP_203913
SP Q5E7H1

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