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 16238

Title: Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52.

Deposition date: 2009-04-02 Original release date: 2009-05-07

Authors: Ramelot, Theresa; Cort, John; Wang, Huang; Ciccosanti, Colleen; Jiang, Mei; Liu, Jinfeng; Rost, Burkhard; Swapna, G.V.T.; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation: Ramelot, Theresa; Cort, John; Wang, Huang; Ciccosanti, Colleen; Jiang, Mei; Liu, Jinfeng; Rost, Burkhard; Swapna, G.V.T.; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of VC_A0919 from Vibrio cholerae. Northeast Structural Genomics Consortium Target VcR52."  .

Assembly members:
VC_A0919, polymer, 108 residues, 12000 Da.

Natural source:   Common Name: not available   Taxonomy ID: 666   Superkingdom: 1   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3) pMGK   Vector: 16238

Entity Sequences (FASTA):
VC_A0919: MSNQTCVENEVCEACGCAGE IGFIIREGDDVAEVSLFGSD KAHLEGKLAEYISLAKQVYA NVEYEVAPVADNATELHARF KFEVSAEKLIFELKTRALAR LEHHHHHH

Data sets:
Data typeCount
13C chemical shifts437
15N chemical shifts102
1H chemical shifts692

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1VC_A09191

Entities:

Entity 1, VC_A0919 108 residues - 12000 Da.

8 non-native residues at C-teriminus (LEHHHHHH)

1   METSERASNGLNTHRCYSVALGLUASNGLU
2   VALCYSGLUALACYSGLYCYSALAGLYGLU
3   ILEGLYPHEILEILEARGGLUGLYASPASP
4   VALALAGLUVALSERLEUPHEGLYSERASP
5   LYSALAHISLEUGLUGLYLYSLEUALAGLU
6   TYRILESERLEUALALYSGLNVALTYRALA
7   ASNVALGLUTYRGLUVALALAPROVALALA
8   ASPASNALATHRGLULEUHISALAARGPHE
9   LYSPHEGLUVALSERALAGLULYSLEUILE
10   PHEGLULEULYSTHRARGALALEUALAARG
11   LEUGLUHISHISHISHISHISHIS

Samples:

NC_sample: MES 20 ± 1 mM; sodium chloride' 'natural abundance 10; .mM – 0.25; .mM – 0.5; . mM; ., 1, mM

NC5_sample: MES 20 ± 1 mM; sodium chloride' 'natural abundance 10; .mM – 0.25; .mM – 0.5; . mM; ., 1, mM

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQCNC_sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESY (aliph)NC_sampleisotropicsample_conditions_1
3D HNCONC_sampleisotropicsample_conditions_1
3D HNCANC_sampleisotropicsample_conditions_1
3D HN(CO)CANC_sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_sampleisotropicsample_conditions_1
3D HNCACBNC_sampleisotropicsample_conditions_1
3D C(CO)NHNC_sampleisotropicsample_conditions_1
3D HBHA(CO)NHNC_sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_sampleisotropicsample_conditions_1
3D HCCH-COSYNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (aliph)NC5_sampleisotropicsample_conditions_1
3D 1H-13C NOESY (arom)NC_sampleisotropicsample_conditions_1

Software:

NMRPipe v2008, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

VNMR v6.1C, Varian - collection

TOPSPIN v2.1.3, Bruker Biospin - collection

AutoStruct v2.2.1, Huang, Tejero, Powers and Montelione - data analysis

X-PLOR NIH v2.20, Schwieters, Kuszewski, Tjandra and Clore - structure solution

SPARKY v3.113, Goddard - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure validation

AutoAssign v2.3.0, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

PDBStat v5.0, (PDBStat) R. Tejero, G.T. Montelione - data analysis

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz
  • Bruker AvanceIII 850 MHz

Related Database Links:

PDB
DBJ BAP05215
EMBL CFW12101 CPR24259 CPR24260 CQB51070 CRZ40211
GB AAF96816 ABQ19183 ACP07838 ACP11775 ACQ62378
REF NP_233304 WP_000070924 WP_000070925 WP_000070926 WP_000070927

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