BMRB Entry 18978

Name: Solution structure of Ph1500: a homohexameric protein centered on a 12-bladed beta-propeller
Published: 2013-03-01

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PDB ID: 2m3x
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18978
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Solution structure of Ph1500: a homohexameric protein centered on a 12-bladed beta-propeller PubMed: 20961124

Deposition date: 2013-01-28 Original release date: 2013-03-01

Authors: Varnay, Ilka; Truffault, Vincent; Kessler, Horst; Coles, Murray

Citation: Varnay, Ilka; Truffault, Vincent; Djuranovic, Sergej; Ursinus, Astrid; Coles, Murray; Kessler, Horst. "Optimized measurement temperature gives access to the solution structure of a 49 kDa homohexameric -propeller." J. Am. Chem. Soc. 132, 15692-15698 (2010).

Assembly members:
Ph1500, polymer, 147 residues, 16728.898 Da.
Ph1500N, polymer, 83 residues, 16728.898 Da.
Ph1500C, polymer, 78 residues, 16728.898 Da.

Natural source: Common Name: Euryarchaeotes Taxonomy ID: 53953 Superkingdom: Archaea Kingdom: not available Genus/species: Pyrococcus horikoshii

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

Entity Sequences (FASTA):
Ph1500: EGVIMSELKLKPLPKVELPP DFVDVIRIKLQGKTVRTGDV IGISILGKEVKFKVVQAYPS PLRVEDRTKITLVTHPVDVL EAKIKGIKDVILDENLIVVI TEENEVLIFNQNLEELYRGK FENLNKVLVRNDLVVIIDEQ KLTLIRT
Ph1500N: MHHHHHHEGVIMSELKLKPL PKVELPPDFVDVIRIKLQGK TVRTGDVIGISILGKEVKFK VVQAYPSPLRVEDRTKITLV THP
Ph1500C: MHHHHHHVDVLEAKIKGIKD VILDENLIVVITEENEVLIF NQNLEELYRGKFENLNKVLV RNDLVVIIDEQKLTLIRT

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_1

Data type	Count
13C chemical shifts	674
15N chemical shifts	131
1H chemical shifts	1125

Additional metadata:

Assembly
Samples and Experiments
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Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Ph1500_1	1
2	Ph1500_2	1
3	Ph1500_3	1
4	Ph1500_4	1
5	Ph1500_5	1
6	Ph1500_6	1
7	Ph1500N	2
8	Ph1500C	3

Samples:

sample_1: Ph1500C, [U-100% 13C; U-100% 15N], 1.2 mM; sodium phosphate 20 mM; sodium chloride 250 mM; H2O 90%; D2O 10%

sample_2: Ph1500C, [U-85% 2H; U-100% 13C; U-100% 15N], 0.6 mM; sodium phosphate 20 mM; sodium chloride 250 mM; H2O 90%; D2O 10%

sample_3: Ph1500N, [U-100% 13C; U-100% 15N], 1.0 mM; sodium phosphate 50 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_4: Ph1500N, [U-100% 15N], 1.0 mM; sodium phosphate 20 mM; sodium chloride 50 mM; H2O 90%; D2O 10%

sample_5: Ph1500, [U-85% 2H; U-100% 13C; U-100% 15N], 0.6 mM; sodium phosphate 20 mM; sodium chloride 250 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 50 mM; pH: 7.0; pressure: 1 atm; temperature: 300 K

sample_conditions_2: ionic strength: 250 mM; pH: 7.2; pressure: 1 atm; temperature: 353 K

sample_conditions_3: ionic strength: 250 mM; pH: 7.2; pressure: 1 atm; temperature: 318 K

Experiments:

Name	Sample	Sample state	Sample conditions
3D HNCO	sample_3	isotropic	sample_conditions_1
3D HNCACB	sample_3	isotropic	sample_conditions_1
3D CBCA(CO)NH	sample_3	isotropic	sample_conditions_1
3D HNHA	sample_4	isotropic	sample_conditions_1
3D HNHB	sample_4	isotropic	sample_conditions_1
3D 1H-15N NOESY	sample_4	isotropic	sample_conditions_1
3D NNH-NOESY	sample_4	isotropic	sample_conditions_1
3D CNH-NOESY	sample_3	isotropic	sample_conditions_1
3D 1H-13C NOESY	sample_3	isotropic	sample_conditions_1
3D CCH-NOESY	sample_3	isotropic	sample_conditions_1
2D 15N-filtered 1H-1H NOESY	sample_4	isotropic	sample_conditions_1
3D trHNCO	sample_2	isotropic	sample_conditions_3
3D trHN(CA)CO	sample_2	isotropic	sample_conditions_3
3D trHNCA	sample_2	isotropic	sample_conditions_3
3D trHNCACB	sample_2	isotropic	sample_conditions_3
3D trHNCO	sample_1	isotropic	sample_conditions_2
3D trHNCA	sample_1	isotropic	sample_conditions_2
3D trHN(CA)CO	sample_1	isotropic	sample_conditions_2
3D HN(CA)HA	sample_1	isotropic	sample_conditions_2
3D H(C)CH-TOCSY	sample_1	isotropic	sample_conditions_2
3D (H)CCH-COSY	sample_1	isotropic	sample_conditions_2
3D (H)CCH-COSY	sample_1	isotropic	sample_conditions_2
2D 15N-filtered 1H-1H NOESY	sample_3	isotropic	sample_conditions_2
3D 1H-15N NOESY	sample_1	isotropic	sample_conditions_2
3D NNH-NOESY	sample_1	isotropic	sample_conditions_2
3D CNH-NOESY	sample_1	isotropic	sample_conditions_2
3D 1H-13C NOESY	sample_1	isotropic	sample_conditions_2
3D CCH-NOESY	sample_1	isotropic	sample_conditions_2
2D 1H-15N TROSY	sample_5	isotropic	sample_conditions_2
2D 1H-15N CRINEPT	sample_2	isotropic	sample_conditions_2
3D HCCH-TOCSY	sample_3	isotropic	sample_conditions_1

Biological Magnetic Resonance Data Bank

BMRB Entry 18978

Title: Solution structure of Ph1500: a homohexameric protein centered on a 12-bladed beta-propeller PubMed: 20961124

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