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 6187

Title: BACKBONE SOLUTION STRUCTURE OF MIXED ALPHA/BETA PROTEIN PF1061   PubMed: 15704012

Authors: Prestegard, J.; Mayer, K.; Valafar, H.

Citation: Valafar, H.; Mayer, K.; Bougault, C.; LeBlond, P.; Jenney, F.; Brereton, P.; Adams, M.; Prestegard, J.. "Backbone Solution Structures of Proteins Using Residual Dipolar Couplings: Application to a Novel Structural Genomics Target"  J. Struct. Funct. Genomics 5, 241-254 (2004).

Assembly members:
hypothetical protein PF1061, polymer, 77 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):
hypothetical protein PF1061: AHHHHHHGSKMIKVKVIGRN IEKEIEWREGMKVRDILRAV GFNTESAIAKVNGKVVLEDD EVKDGDFVEVIPVVSGG

Data typeCount
1H chemical shifts140
13C chemical shifts68
15N chemical shifts68
coupling constants59
residual dipolar couplings394
homonuclear NOE values89

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Assembly:

Entity Assembly IDEntity NameEntity ID
1hypothetical protein PF10611

Entities:

Entity 1, hypothetical protein PF1061 77 residues - Formula weight is not available

1   ALAHISHISHISHISHISHISGLYSERLYS
2   METILELYSVALLYSVALILEGLYARGASN
3   ILEGLULYSGLUILEGLUTRPARGGLUGLY
4   METLYSVALARGASPILELEUARGALAVAL
5   GLYPHEASNTHRGLUSERALAILEALALYS
6   VALASNGLYLYSVALVALLEUGLUASPASP
7   GLUVALLYSASPGLYASPPHEVALGLUVAL
8   ILEPROVALVALSERGLYGLY

Samples:

sample_1: hypothetical protein PF1061, [U-15N; 16%-13C], 1 mM; PHOSPHATE BUFFER 50 mM; KCL 200 mM; H2O 90%; D2O 10%

sample_2: hypothetical protein PF1061, [U-15N; 16%-13C], 0.5 mM; PHOSPHATE BUFFER 50 mM; C12E5:HEXANOL 0.98:1; KCL 100 mM; H2O 90%; D2O 10%

sample_3: hypothetical protein PF1061, [U-15N; 16%-13C], 0.5 mM; PHOSPHATE BUFFER 50 mM; PEG:CTAB 27:1; C12E5:HEXANOL 0.87:1; KCL 100 mM; H2O 90%; D2O 10%

sample_4: hypothetical protein PF1061, [U-15N], 1 mM; PHOSPHATE BUFFER 50 mM; KCL 200 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 5.5; temperature: 298 K; ionic strength: 200 mM; pressure: 1 atm

sample_cond_2: pH: 6; temperature: 300 K; ionic strength: 100 mM; pressure: 1 atm

sample_cond_3: pH: 6; temperature: 293 K; ionic strength: 100 mM; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
3D 15N-SEPARATED NOESYsample_4isotropicsample_cond_1
3D 15N-SEPARATED TOCSYsample_4isotropicsample_cond_1
SOFT HNCA-E.COSYsample_1isotropicsample_cond_1
MODIFIED HNCOsample_1isotropicsample_cond_1
15N COUPLED HSQCsample_1isotropicsample_cond_1
SOFT HNCA-E.COSYsample_2anisotropicsample_cond_2
MODIFIED HNCOsample_2anisotropicsample_cond_2
15N COUPLED HSQCsample_2anisotropicsample_cond_2
15N COUPLED HSQCsample_3anisotropicsample_cond_3
SOFT HNCA-E.COSYsample_3anisotropicsample_cond_3

Software:

XPLOR-NIH v2.9.1 - refinement

NMRPIPE v5.0.4 - structure solution

REDCRAFT v1.0 - structure solution

REDCAT v1.0 - structure solution

NMR spectrometers:

  • VARIAN INOVA 600 MHz

Related Database Links:

PDB
GB AAL81185 AFN03857
REF NP_578790 WP_011012198 WP_014835316 YP_006492149