BMRB Entry 17175

Name: Solution NMR structure of hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104.
Published: 2015-05-07

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PDB ID: 2l3a
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17175
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104.

Deposition date: 2010-09-10 Original release date: 2015-05-07

Authors: Yang, Yunhuang; Ramelot, Theresa; Lee, Dan; Ciccosanti, Colleen; Hamilton, Keith; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation: Yang, Yunhuang; Ramelot, Theresa; Lee, Dan; Ciccosanti, Colleen; Hamilton, Keith; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104." Not known ., .-..

Assembly members:
SP_0782, polymer, 82 residues, 9574.8 Da.

Natural source: Common Name: S. pneumoniae Taxonomy ID: 1313 Superkingdom: Bacteria Kingdom: not available Genus/species: Streptococcus pneumoniae

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

Entity Sequences (FASTA):
SP_0782: MKKMAEFTFEIEEHLLTLSE NEKGWTKEINRVSFNGAPAK FDIRAWSPDHTKMGKGITLS NEEFQTMVDAFKGNLEHHHH HH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	358
15N chemical shifts	92
1H chemical shifts	555

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	SP_0782, chain 1	1
2	SP_0782, chain 2	1

Samples:

NC_sample: homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, [U-100% 13C; U-100% 15N], 1.2 ± 0.12 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

NC5_sample: homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, [U-5% 13C; U-100% 15N], 1.2 ± 0.12 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 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: homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, [U-100% 13C; U-100% 15N], 1.2 ± 0.12 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; D2O 100%

mixed_sample: homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, [U-100% 13C; U-100% 15N], 1.2 ± 0.12 mM; homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae 1.2 ± 0.12 mM; ammonium acetate 20 ± 1 mM; sodium chloride 100 ± 5 mM; calcium chloride 5 ± 0.2 mM; DTT 10 ± 0.5 mM; sodium azide 0.02 ± 0.001 %; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.2 M; pH: 4.5; pressure: 1 atm; temperature: 293 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	NC_sample	isotropic	sample_conditions_1
2D 1H-13C HSQC_CT	NC5_sample	isotropic	sample_conditions_1
3D 1H-15N NOESY	NC_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY ali	NC_sample	isotropic	sample_conditions_1
3D HNCO	NC_sample	isotropic	sample_conditions_1
3D HNCA	NC_sample	isotropic	sample_conditions_1
3D HNCACB	NC_sample	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HN(CO)CA	NC_sample	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC_sample	isotropic	sample_conditions_1
3D H(CCO)NH	NC_sample	isotropic	sample_conditions_1
3D C(CO)NH	NC_sample	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC_sample	isotropic	sample_conditions_1
3D HCCH-COSY	NC_sample	isotropic	sample_conditions_1
3D (H)CCH-TOCSY	NC_sample_in_D2O	isotropic	sample_conditions_1
4D CC NOESY	NC_sample_in_D2O	isotropic	sample_conditions_1
2D 1H-15N HSQC_swN150ppm	NC_sample	isotropic	sample_conditions_1
3D edited/filtered 13C NOESY	mixed_sample	isotropic	sample_conditions_1
3D 1H-13C NOESY aro	NC_sample	isotropic	sample_conditions_1

PDB	2L3A 4G06
EMBL	CAR68548 CBW32364 CBW34324 CBW36334 CCM08389
GB	AAK74919 AAK99494 ABJ55343 ACA35659 ACB89982
REF	NP_358284 WP_000807422 WP_000807423 WP_000807425 WP_000807426

Biological Magnetic Resonance Data Bank

BMRB Entry 17175

Title: Solution NMR structure of hepothetical homodimer protein SP_0782 (7-79) from Streptococcus pneumoniae, Northeast Structural Genomics Consortium Target SpR104.

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