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Biological Magnetic Resonance Data Bank


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BMRB Entry 19000

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR19000
MolProbity Validation Chart

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Title: Solution NMR structure of VV2_0175 from Vibrio vulnificus, NESG target VnR1 and CSGID target IDP91333

Deposition date: 2013-02-04 Original release date: 2013-02-20

Authors: Wu, Bin; Yee, Adelinda; Houliston, Scott; Lemak, Alexander; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl

Citation: Wu, Bin; Yee, Adelinda; Houliston, Scott; Lemak, Alexander; Garcia, Maite; Savchenko, Alexei; Arrowsmith, Cheryl. "Solution NMR structure of VV2_0175 from Vibrio vulnificus, NESG target VnR1 and CSGID target IDP91333"  Not known ., .-..

Assembly members:
VV2_0175, polymer, 110 residues, 9530.360 Da.

Natural source:   Common Name: g-proteobacteria   Taxonomy ID: 672   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Vibrio vulnificus

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

Entity Sequences (FASTA):
VV2_0175: MHHHHHHSSGVDLGTENLYF QSNAMSKTAKLNNEEKLVKK ALEIGGKMAKMQGFDLPQSP QPVRVKAVYLFLVDAKQIAP LPDSKLDGANIKHRLALWIH AALPDNDPLK

Data sets:
Data typeCount
13C chemical shifts356
15N chemical shifts71
1H chemical shifts609

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VV2_01751

Entities:

Entity 1, VV2_0175 110 residues - 9530.360 Da.

residues M-23 - A0 represents histag

1   METHISHISHISHISHISHISSERSERGLY
2   VALASPLEUGLYTHRGLUASNLEUTYRPHE
3   GLNSERASNALAMETSERLYSTHRALALYS
4   LEUASNASNGLUGLULYSLEUVALLYSLYS
5   ALALEUGLUILEGLYGLYLYSMETALALYS
6   METGLNGLYPHEASPLEUPROGLNSERPRO
7   GLNPROVALARGVALLYSALAVALTYRLEU
8   PHELEUVALASPALALYSGLNILEALAPRO
9   LEUPROASPSERLYSLEUASPGLYALAASN
10   ILELYSHISARGLEUALALEUTRPILEHIS
11   ALAALALEUPROASPASNASPPROLEULYS

Samples:

sample_1: VV2_0175, [U-100% 13C; U-100% 15N], 0.5 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_2: VV2_0175, [U-7% 13C; U-100% 15N], 0.2 mM; TRIS, [U-100% 2H], 10 mM; sodium chloride 300 mM; DTT, [U-100% 2H], 10 mM; NaN3 0.01%; benzamidine 10 mM; inhibitor cocktail 1 x; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 300 mM; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_2isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HNCBsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D TOCSY-HSQCsample_1isotropicsample_conditions_1

Software:

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

MDDGUI v1.0, Gutmanas, Arrowsmith - processing

SPARKY v3.95, Goddard - data analysis

FMCGUI v2.4, Lemak, Arrowsmith - chemical shift assignment

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

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

AutoStruct, Huang, Tejero, Powers and Montelione - NMR structure quality assessment

PSVS, Bhattacharya and Montelione - NMR structure quality assessment

FAWN, Lemak, Arrowsmith - chemical shift assignment

NMR spectrometers:

  • Bruker Avance 800 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 500 MHz

Related Database Links:

PDB
DBJ BAC96709
GB AAO07148 ADV88695 AIL72739 ALM73137 EWS70635
REF WP_011081156 WP_046030100 WP_047110511

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