BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 6303

Title: Solution structure of a diiron protein model   PubMed: 15700297

Authors: Maglio, O.; Nastri, F.; Calhoun, J.; Lahr, S.; Pavone, V.; DeGrado, W.; Lombardi, A.

Citation: Calhoun, J.; Nastri, F.; Maglio, O.; Pavone, V.; Lombardi, A.; DeGrado, W.. "Artificial diiron proteins: From structure to function"  Biopolymers 80, 264-278 (2005).

Assembly members:
Four-helix bundle, polymer, 49 residues, Formula weight is not available
ZN, non-polymer, 65.409 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

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

Entity Sequences (FASTA):
Four-helix bundle: MDYLRELYKLEQQAMKLYRE ASERVGDPVLAKILEDEEKH IEWLETING

Data sets:
Data typeCount
1H chemical shifts363

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Four-helix bundle chain A1
2Four-helix bundle chain B1
3ZINC (II) ION 12
4ZINC (II) ION 22

Entities:

Entity 1, Four-helix bundle chain A 49 residues - Formula weight is not available

1   METASPTYRLEUARGGLULEUTYRLYSLEU
2   GLUGLNGLNALAMETLYSLEUTYRARGGLU
3   ALASERGLUARGVALGLYASPPROVALLEU
4   ALALYSILELEUGLUASPGLUGLULYSHIS
5   ILEGLUTRPLEUGLUTHRILEASNGLY

Entity 2, ZINC (II) ION 1 - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: Four-helix bundle 0.5 mM; phosphate buffer 50 mM; H2O 90%; D2O 10%

sample_cond_1: pH: 6.1; pressure: 1 atm; temperature: 298 K

Experiments:

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

Software:

NMRPipe v1.7 - processing

DYANA v1.5 - structure solution

AMBER v7.0 - refinement

NMR spectrometers:

  • Bruker AVANCE 800 MHz

Related Database Links:

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