BMRB Entry 16486

Name: Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A
Published: 2009-09-29

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PDB ID: 2ko1
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/BMR16486
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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 ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A

Deposition date: 2009-09-08 Original release date: 2009-09-29

Authors: Eletsky, Alexander; Garcia, Erwin; Wang, Huang; Ciccosanti, Colleen; Jiang, Mei; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Lee, Hsiau-Wei; Prestegard, James; Montelione, Gaetano; Szyperski, Thomas

Citation: Eletsky, Alexander; Garcia, Erwin; Wang, Huang; Ciccosanti, Colleen; Jiang, Mei; Nair, Rajesh; Rost, Burkhard; Acton, Thomas; Xiao, Rong; Everett, John; Lee, Hsiau-Wei; Prestegard, James; Montelione, Gaetano; Szyperski, Thomas. "Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum." Proteins: Struct. Funct. Genet. ., .-..

Assembly members:
CtR148A, polymer, 88 residues, 10050.751 Da.

Natural source: Common Name: Chlorobium tepidum Taxonomy ID: 194439 Superkingdom: Bacteria Kingdom: not available Genus/species: Chlorobium tepidum

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

Entity Sequences (FASTA):
CtR148A: MTDFLAGIRIVGEDKNGMTN QITGVISKFDTNIRTIVLNA KDGIFTCNLMIFVKNTDKLT TLMDKLRKVQGVFTVERLSN LEHHHHHH

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1
spectral_peak_list
- n
- cali
- caro
- cali2

Data type	Count
13C chemical shifts	368
15N chemical shifts	94
1H chemical shifts	630

Time Domain Data

Additional metadata:

Assembly
Samples and Experiments
Software
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Entity Assembly ID	Entity Name	Entity ID
1	entity_1	1
2	entity_2	1

Samples:

NC5_PEG: CtR148A, [U-5% 13C; U-100% 15N], 0.3 mM; MES 18 mM; sodium chloride 180 mM; calcium chloride 4.5 mM; DTT 9 mM; DSS 45 uM; sodium azide 0.045%; polyethylene glycol 4%; D2O 16%; H2O 84%

NC5_PAAG: CtR148A, [U-5% 13C; U-100% 15N], 0.45 mM; MES 18 mM; sodium chloride 180 mM; calcium chloride 4.5 mM; DTT 9 mM; DSS 45 uM; sodium azide 0.045%; polyacrylamide 7%; D2O 14%; H2O 86%

NC: CtR148A, [U-100% 13C; U-100% 15N], 0.3 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.05%; D2O 10%; H2O 90%

NC5: CtR148A, [U-5% 13C; U-100% 15N], 0.5 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.05%; D2O 10%; H2O 90%

MIX: CtR148A, [U-100% 13C; U-100% 15N], 0.5 mM; MES 20 mM; sodium chloride 200 mM; calcium chloride 5 mM; DTT 10 mM; DSS 50 uM; sodium azide 0.05%; CtR148A 0.5 mM; D2O 10%; H2O 90%

sample_conditions_1: ionic strength: 225 mM; pH: 6.5; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
1D 15N T1	NC	isotropic	sample_conditions_1
1D 15N T2	NC	isotropic	sample_conditions_1
2D 1H-15N HSQC	NC	isotropic	sample_conditions_1
2D 1H-13C HSQC aliphatic	NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC aliphatic	NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC aromatic	NC	isotropic	sample_conditions_1
3D CBCA(CO)NH	NC	isotropic	sample_conditions_1
3D HNCACB	NC	isotropic	sample_conditions_1
3D HNCO	NC	isotropic	sample_conditions_1
3D HN(CA)CO	NC	isotropic	sample_conditions_1
3D HBHA(CO)NH	NC	isotropic	sample_conditions_1
3D HCCH-COSY	NC	isotropic	sample_conditions_1
3D HCCH-TOCSY	NC	isotropic	sample_conditions_1
3D 1H-13C NOESY	NC	isotropic	sample_conditions_1
3D 1H-15N/13C NOESY	NC	isotropic	sample_conditions_1
2D 1H-13C CT-HSQC methyl	NC5	isotropic	sample_conditions_1
2D 1H-15N HSQC J-modulated	NC5	isotropic	sample_conditions_1
2D 1H-15N HSQC J-modulated	NC5_PEG	anisotropic	sample_conditions_1
2D 1H-15N HSQC J-modulated	NC5_PAAG	anisotropic	sample_conditions_1
3D 1H-13C X-filtered NOESY	MIX	isotropic	sample_conditions_1

PDB	2KO1
GB	AAM72771
REF	NP_662429 WP_010933210

Biological Magnetic Resonance Data Bank

BMRB Entry 16486

Title: Solution NMR structure of the ACT domain from GTP pyrophosphokinase of Chlorobium tepidum. Northeast Structural Genomics Consortium Target CtR148A

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