BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 15805

Title: NMR structure of protein PF0246 from Pyrococcus furiosus: target PfR75 from the Northeast Structural Genomics Consortium

Authors: Cort, John; Ho, Chi; Shetty, Karishma; Cunningham, Kellie; Ma, Li-Chung; Xiao, Rong; Liu, Jinfeng; Baran, Michael; Swapna, G.V.T; Acton, Thomas; Rost, Burkhard; Montelione, Gaetano; Kennedy, Michael

Citation: Cort, John. "Solution-State NMR Structure of protein PF0246 from Pyrococcus Furiosis"  Not known ., .-..

Assembly members:
PA0426, polymer, 111 residues, Formula weight is not available

Natural source:   Common Name: Pyrococcus furiosus   Taxonomy ID: 2261   Superkingdom: Archaea   Kingdom: not available   Genus/species: Pyrococcus furiosus

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

Entity Sequences (FASTA):
PA0426: MNSEVIKEFLEDIGEDYIEL ENEIHLKPEVFYEVWKYVGE PELKTYVIEDEIVEPGEYDP PEMKYTNVKKVKIKKVYFET LDNVRVVTDYSEFQKILKKR GTKLEHHHHHH

Data sets:
Data typeCount
13C chemical shifts447
15N chemical shifts102
1H chemical shifts631

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1PA02461

Entities:

Entity 1, PA0246 111 residues - Formula weight is not available

The protein contains a C-terminal His-tag, -LEHHHHHH

1   METASNSERGLUVALILELYSGLUPHELEU
2   GLUASPILEGLYGLUASPTYRILEGLULEU
3   GLUASNGLUILEHISLEULYSPROGLUVAL
4   PHETYRGLUVALTRPLYSTYRVALGLYGLU
5   PROGLULEULYSTHRTYRVALILEGLUASP
6   GLUILEVALGLUPROGLYGLUTYRASPPRO
7   PROGLUMETLYSTYRTHRASNVALLYSLYS
8   VALLYSILELYSLYSVALTYRPHEGLUTHR
9   LEUASPASNVALARGVALVALTHRASPTYR
10   SERGLUPHEGLNLYSILELEULYSLYSARG
11   GLYTHRLYSLEUGLUHISHISHISHISHIS
12   HIS

Samples:

sample_1: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; H2O 95%; D2O, [U-100% 2H], 5%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%

sample_2: PA0426, [U-100% 13C; U-100% 15N], 1 ± 0.1 mM; D2O, [U-100% 2H], 100%; sodium chloride 100 mM; MES 20 mM; calcium chloride 5 mM; sodium azide 0.02%

sample_conditions_1: ionic strength: 150 mM; pH: 6.5; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
4D 13C-13C HMQC NOESYsample_2isotropicsample_conditions_1

Software:

FELIX v98, Accelrys Software Inc. - data analysis, processing

SPARKY, Goddard - data analysis, peak picking

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement, structure solution

AutoStruct, Huang, Tejero, Powers and Montelione - structure solution

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Varian INOVA 750 MHz

Related Database Links:

PDB
GB AAL80370 AFN03032
REF WP_011011361