BMRB Entry 16656

Name: Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C.
Published: 2010-01-19

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PDB ID: 2ks0
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR16656
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C.

Deposition date: 2009-12-23 Original release date: 2010-01-19

Authors: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Wang, Huang; Ciccosanti, Colleen; Foote, Erica; Jiang, Mei; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael

Citation: Yang, Yunhuang; Ramelot, Theresa; Cort, John; Wang, Huang; Ciccosanti, Colleen; Foote, Erica; Jiang, Mei; Janjua, Haleema; Acton, Thomas; Xiao, Rong; Everett, John; Montelione, Gaetano; Kennedy, Michael. "Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C." Not known ., .-..

Assembly members:
Q251Q8_DESHY, polymer, 71 residues, 13583.6 Da.

Natural source: Common Name: D. hafniense Taxonomy ID: 49338 Superkingdom: Bacteria Kingdom: not available Genus/species: Desulfitobacterium Hafniense

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

Entity Sequences (FASTA):
Q251Q8_DESHY: MDNRQFLSLTGVSKVQSFDP KEILLETIQGVLSIKGEKLG IKHLDLKAGQVEVEGLIDAL VYPLEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list

Data type	Count
13C chemical shifts	289
15N chemical shifts	69
1H chemical shifts	482

Additional metadata:

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

Samples:

NC_sample: Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; ammonium acetate 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: Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, [U-5% 13C; U-100% 15N], 1 ± 0.09 mM; ammonium acetate 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: Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, [U-100% 13C; U-100% 15N], 1.0 ± 0.1 mM; ammonium acetate 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 100%

NC50_sample: Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense, [U-100% 13C; U-100% 15N], 0.5 ± 0.1 mM; Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense 0.5 ± 0.1 mM; ammonium acetate 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%

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	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	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
3D edited/filtered Cnoesy	NC50_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC_Histidine	NC_sample	isotropic	sample_conditions_1
2D 1H-15N HSQC_swN150ppm	NC_sample	isotropic	sample_conditions_1

BMRB	16961
PDB	2KS0 2KYI 3IPF
DBJ	BAE81984
EMBL	CDX00176
GB	ACL18206 EHL08222
REF	WP_015942592

Biological Magnetic Resonance Data Bank

BMRB Entry 16656

Title: Solution NMR structure of the Q251Q8_DESHY(21-82) protein from Desulfitobacterium Hafniense. Northeast Structural Genomics Consortium Target DhR8C.

Additional metadata:

Assembly:

Entities:

Samples:

Experiments:

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NMR spectrometers:

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