BMRB Entry 15610

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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/BMR15610
MolProbity Validation Chart

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Title:
Solution NMR Structure of BH09830 from Bartonella henselae Modeled with One Zn+2 Bound, Northeast Structural Genomics Consortium Target BnR55.
Deposition date:
2007-12-30
Original release date:
2008-01-28
Authors:
Ding, Keyang; Cort, John; Wang, Dongyan; Janjua, Haleema; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael
Citation:

Citation: Ding, Keyang; Cort, John; Wang, Dongyan; Janjua, Haleema; Owens, Leah; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, Gurla; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael. "Solution NMR Structure of BH09830 from Bartonella henselae Modeled with One Zn+2 Bound."  .

Assembly members:

Assembly members:
BH09830_monomer, polymer, 87 residues, 10158.537 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:

Natural source:   Common Name: Bartonella henselae   Taxonomy ID: 38323   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Bartonella henselae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET21

Entity Sequences (FASTA):

Entity Sequences (FASTA):
BH09830_monomer: MADYNIPHFQNDLGYKIIEI GVKEFMCVGATQPFDHPHIF IDMGSTDEKICPYCSTLYRY DPSLSYNQTNPTGCLYNPKL EHHHHHH

Data sets:
Data typeCount
13C chemical shifts320
15N chemical shifts72
1H chemical shifts516

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2ZINC ION2

Entities:

Entity 1, entity_1 87 residues - 10158.537 Da.

The full sequence is cloned with his-tag LEHHHHHH added at the C-terminal.

1   METALAASPTYRASNILEPROHISPHEGLN
2   ASNASPLEUGLYTYRLYSILEILEGLUILE
3   GLYVALLYSGLUPHEMETCYSVALGLYALA
4   THRGLNPROPHEASPHISPROHISILEPHE
5   ILEASPMETGLYSERTHRASPGLULYSILE
6   CYSPROTYRCYSSERTHRLEUTYRARGTYR
7   ASPPROSERLEUSERTYRASNGLNTHRASN
8   PROTHRGLYCYSLEUTYRASNPROLYSLEU
9   GLUHISHISHISHISHISHIS

Entity 2, ZINC ION - Zn - 65.409 Da.

1   ZN

Samples:

sample_2: BH09830 monomer, [U-100% 13C; U-100% 15N], 0.8 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM; D2O, [U-100% 2H], 100%

sample_1: BH09830 monomer, [U-100% 13C; U-100% 15N], 0.8 mM; DSS 50 uM; NaN3 0.02%; DTT 100 mM; CaCl2 5 mM; NaCl 100 mM; MES 20 mM; D2O, [U-100% 2H], 10%; H2O 90%

sample_conditions_1: ionic strength: 100 mM; pH: 6.5; pressure: 1 atm; temperature: 293 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C Arom HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-13C Arom NOESYsample_1isotropicsample_conditions_1
4D HCCH NOESYsample_2isotropicsample_conditions_1

Software:

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

X-PLOR NIH v2.15.0, Schwieters, Kuszewski, Tjandra and Clore - structure solution

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

SPARKY v3.1, Goddard - peak picking

NMRPipe vlinux9, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks