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 4347

Title: 1H Chemical Shift Assignments and Interproton 3JHNHA Coupling Constants of Alpha2-D, a Nativelike de Novo Designed Four Helix Bundle

Authors: Hill, R.; DeGrado, William

Citation: Hill, R.; DeGrado, William. "Solution Structure of Alpha2D, a Nativelike de Novo Designed Protein"  J. Am. Chem. Soc. 120, 1138-1145 (1998).

Assembly members:
Alpha2D, polymer, 37 residues, 4289.1 Da.

Natural source:   Common Name: not available   Taxonomy ID: not available   Superkingdom: not available   Kingdom: not available   Genus/species: not available not available

Experimental source:   Production method: chemically synthesized

Entity Sequences (FASTA):
Alpha2D: XGEVEELEKKFKELWKGPRR GEIEELHKKFHELIKGX

Data sets:
Data typeCount
1H chemical shifts270
coupling constants27

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1A2D subunit A1
2A2D subunit B1

Entities:

Entity 1, A2D subunit A 37 residues - 4289.1 Da.

1   ACEGLYGLUVALGLUGLULEUGLULYSLYS
2   PHELYSGLULEUTRPLYSGLYPROARGARG
3   GLYGLUILEGLUGLULEUHISLYSLYSPHE
4   HISGLULEUILELYSGLYNH2

Samples:

sample_one: Alpha2D 2.0 mM; Tris, [U-2H], 50 mM; H2O 90%; D2O 10%

sample_conditions_one: ionic strength: .052 M; pH: 7.3 na; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
1H-1H TOCSYsample_onenot availablesample_conditions_one
1H-1H DQF-COSYsample_onenot availablesample_conditions_one
1H-1H E-COSYsample_onenot availablesample_conditions_one
1H-1H 100ms NOESYsample_onenot availablesample_conditions_one
1H-1H 200ms NOESYsample_onenot availablesample_conditions_one
1H-13C HMQCsample_onenot availablesample_conditions_one

Software:

AZARA - process data

ANSIG v3.3, Per Kraulis - assignments and integration

NMR spectrometers:

  • Bruker AMX 600.13 MHz

Related Database Links:

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