BMRB Entry 5747

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full
BMRB Entry DOI: doi:10.13018/BMR5747
MolProbity Validation Chart

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Title:
Solution structure of a four-helix bundle model, apo-DF1
Deposition date:
2003-03-19
Original release date:
2003-05-22
Authors:
Maglio, O.; Nastri, F.; Pavone, V.; Lombardi, A.; DeGrado, W.
Citation:

Citation: Maglio, O.; Nastri, F.; Pavone, V.; Lombardi, A.; DeGrado, W.. "Preorganization of Molecular Binding Sites in Designed Diiron Proteins"  Proc. Natl. Acad. Sci. U. S. A. 100, 3772-3777 (2003).
PubMed: 12655072

Assembly members:

Assembly members:
Diiron protein model, polymer, 50 residues, Formula weight is not available

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

Entity Sequences (FASTA):
Diiron protein model: XDYLRELLKLELQLIKQYRE ALEYVKLPVLAKILEDEEKH IEWLETILGX

Data sets:
Data typeCount
1H chemical shifts389

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DF1 Chain A1
2DF1 Chain B1

Entities:

Entity 1, DF1 Chain A 50 residues - Formula weight is not available

1   ACEASPTYRLEUARGGLULEULEULYSLEU
2   GLULEUGLNLEUILELYSGLNTYRARGGLU
3   ALALEUGLUTYRVALLYSLEUPROVALLEU
4   ALALYSILELEUGLUASPGLUGLULYSHIS
5   ILEGLUTRPLEUGLUTHRILELEUGLYNH2

Samples:

sample_1: Diiron protein model 1.0 mM; H20 90%; DMSO, [U-2H], 10%

sample_cond_1: pH: 4.0; temperature: 298 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D TOCSYsample_1not availablesample_cond_1
2D NOESYsample_1not availablesample_cond_1
DQF-COSYsample_1not availablesample_cond_1

Software:

NMRPipe - processing

DYANA v1.5 - structure calculation

AMBER v7.0 - refinement

NMR spectrometers:

  • Bruker AVANCE 600 MHz

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