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BMRB Entry 16364

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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/BMR16364
MolProbity Validation Chart

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Title: Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155).

Deposition date: 2009-06-25 Original release date: 2009-07-07

Authors: Yang, Yunhuang; Ramelot, Theresa; Wang, Dongyan; Foote, Erica; Jiang, M.; Nair, R.; Rost, Burkhard; Swapna, G.V.T; Acton, Thomas; Xiao, Rong; Everett, John; Montelio, Gaetano; Kennedy, Michael

Citation: Yang, Yunhuang; Ramelot, Theresa; Wang, Dongyan; Foote, Erica; Jiang, M.; Nair, R.; Rost, Burkhard; Swapna, G.V.T; Acton, Thomas; Xiao, Rong; Everett, John; Montelio, Gaetano; Kennedy, Michael. "Solution NMR structure of FHA domain of Mb1858 from Mycobacterium bovis. Northeast Structural Genomics Consortium Target MbR243C (24-155)."  Not known ., .-..

Assembly members:
Mb1858, polymer, 140 residues, 15241.8 Da.

Natural source:   Common Name: Mycobacterium Bovis   Taxonomy ID: 1765   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Mycobacterium Bovis

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

Entity Sequences (FASTA):
Mb1858: VFRADFLSELDAPAQAGTES AVSGVEGLPPGLALLVVKRG PNAGSRFLLDQAITSAGRHP DSDIFLDDVTVSRRHAEFRL ENNEFNVVDVGSLNGTYVNR EPVDSAVLANGDEVQIGKFR LVFLTGHKQGEDLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts586
15N chemical shifts150
1H chemical shifts941

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Mb18581

Entities:

Entity 1, Mb1858 140 residues - 15241.8 Da.

residues 24-155 of Mb1858 followed by 8 non-native C-terminal residues (LEHHHHHH)

1   VALPHEARGALAASPPHELEUSERGLULEU
2   ASPALAPROALAGLNALAGLYTHRGLUSER
3   ALAVALSERGLYVALGLUGLYLEUPROPRO
4   GLYLEUALALEULEUVALVALLYSARGGLY
5   PROASNALAGLYSERARGPHELEULEUASP
6   GLNALAILETHRSERALAGLYARGHISPRO
7   ASPSERASPILEPHELEUASPASPVALTHR
8   VALSERARGARGHISALAGLUPHEARGLEU
9   GLUASNASNGLUPHEASNVALVALASPVAL
10   GLYSERLEUASNGLYTHRTYRVALASNARG
11   GLUPROVALASPSERALAVALLEUALAASN
12   GLYASPGLUVALGLNILEGLYLYSPHEARG
13   LEUVALPHELEUTHRGLYHISLYSGLNGLY
14   GLUASPLEUGLUHISHISHISHISHISHIS

Samples:

NC_sample: Mb1858, [U-100% 13C; U-100% 15N], 1.1 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 10 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

NC5_sample: Mb1858 1.1 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 10 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

NC_sample_in_D2O: Mb1858, [U-100% 13C; U-100% 15N], 1.1 ± 0.1 mM; MES 20 ± 1 mM; sodium chloride 200 ± 10 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; D2O 10%

sample_conditions_1: ionic strength: 0.2 M; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQCNC_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (no ct)NC5_sampleisotropicsample_conditions_1
3D 1H-15N NOESYNC_sampleisotropicsample_conditions_1
3D 1H-13C NOESYNC_sampleisotropicsample_conditions_1
3D HNCONC_sampleisotropicsample_conditions_1
3D HNCANC_sampleisotropicsample_conditions_1
3D HNCACBNC_sampleisotropicsample_conditions_1
3D CBCA(CO)NHNC_sampleisotropicsample_conditions_1
3D HN(CO)CANC_sampleisotropicsample_conditions_1
3D HBHA(CO)NHNC_sampleisotropicsample_conditions_1
3D H(CCO)NHNC_sampleisotropicsample_conditions_1
3D C(CO)NHNC_sampleisotropicsample_conditions_1
3D HCCH-TOCSYNC_sampleisotropicsample_conditions_1
3D HCCH-COSYNC_sampleisotropicsample_conditions_1
3D CCH-TOCSYNC_sample_in_D2Oisotropicsample_conditions_1
4D CC NOESYNC_sample_in_D2Oisotropicsample_conditions_1
2D 1H-13C HSQC (ct)NC5_sampleisotropicsample_conditions_1
2D 1H-13C HSQC (arom)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

CNS v1.2, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

SPARKY v3.113, Goddard - data analysis

PSVS v1.3, Bhattacharya and Montelione - structure solution

AutoAssign v2.30, Zimmerman, Moseley, Kulikowski and Montelione - chemical shift assignment

PDBStat v5.1, (PdbStat)-Roberto Tejero and Gaetano T. Montelione - structure solution

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker AvanceIII 850 MHz

Related Database Links:

BMRB 16248
PDB
DBJ BAH26133 BAL65810 BAQ05852 BAQ05855 GAA45536
EMBL CAL71849 CCC26919 CCC44174 CCC64431 CCE37310
GB AAK46148 ABQ73594 ABR06192 ACT25235 AEB04307
REF NP_216343 NP_855510 WP_003899041 WP_015303233 WP_021083142
SP P64898 P9WJA8 P9WJA9

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