BMRB Entry 7247

Title:
Solution structure of a single chain diiron protein model
Deposition date:
2006-08-01
Original release date:
2008-08-13
Authors:
Liu, Weixia; Calhoun, Jennifer; Wand, A.; DeGrado, William
Citation:

Citation: Calhoun, Jennifer; Liu, Weixia; Spiegel, Katrin; Dal Peraro, Matteo; Klein, Michael; Valentine, Kathleen; Wand, A.; DeGrado, William. "Solution NMR Structure of a Designed Metalloprotein and Complementary Molecular Dynamics Refinement"  Structure 16, 210-215 (2008).
PubMed: 18275812

Assembly members:

Assembly members:
Four-helix bundle model, DFsc, polymer, 115 residues, 65.409 Da.
ZN, non-polymer, 65.409 Da.

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: recombinant technology   Vector: PET-24A

Entity Sequences (FASTA):

Data sets:
Data typeCount
13C chemical shifts531
15N chemical shifts129
1H chemical shifts775
coupling constants107

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1di-Zn(II) DFsc1
2ZINC (II) ION, 12
3ZINC (II) ION, 22

Entities:

Entity 1, di-Zn(II) DFsc 115 residues - 65.409 Da.

1   METASPGLULEUARGGLULEULEULYSALA
2   GLUGLNGLNALAILELYSILETYRLYSGLU
3   VALLEULYSLYSALALYSGLUGLYASPGLU
4   GLNGLULEUALAARGLEUILEGLNGLUILE
5   VALLYSALAGLULYSGLNALAVALLYSVAL
6   TYRLYSGLUALAALAGLULYSALAARGASN
7   PROGLULYSARGGLNVALILEASPLYSILE
8   LEUGLUASPGLUGLULYSHISILEGLUTRP
9   LEULYSALAALASERLYSGLNGLYASNALA
10   GLUGLNPHEALASERLEUVALGLNGLNILE
11   LEUGLNASPGLUGLNARGHISVALGLUGLU
12   ILEGLULYSLYSASN

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

1   ZN

Samples:

DFsc: DueFerri, single chain, [U-13C; U-15N], 2 mM; Zn(II) Acetate 2.5 mM; Sodium acetat 50 mM; NaCl 10 mM; D2O 5%; H2O 95%

conditions_1: pH: 6.0; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCDFscnot availableconditions_1
HNCBCADFscnot availableconditions_1
CBCACONHDFscnot availableconditions_1
C(CO)_NHDFscnot availableconditions_1
HC(CO)_NHDFscnot availableconditions_1
1H13C_HSQCDFscnot availableconditions_1
HNHADFscnot availableconditions_1
HCCHTOCSYDFscnot availableconditions_1
MECCTOCSYDFscnot availableconditions_1
HNCODFscnot availableconditions_1
NOESYNHSQCDFscnot availableconditions_1
NOESYCHSQCDFscnot availableconditions_1

Software:

NMRPipe vlinux9, NIH -

SPARKY v3.110, UCSF -

NMR spectrometers:

  • VARIAN INOVA 750 MHz

Related Database Links:

PDB

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks