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 27194

Title: Dynamics of Dehaloperoxidase-Hemoglobin A Derived from NMR Relaxation Spectroscopy and Molecular Dynamics Simulation

Authors: Zhao, Jing; Franzen, Stefan

Citation: Zhao, Jing; Franzen, Stefan. "Dynamics of Dehaloperoxidase-Hemoglobin A Derived from NMR Relaxation Spectroscopy and Molecular Dynamics Simulation"  J. Biol. Inorg. Chem. ., .-..

Assembly members:
Dehaloperoxidase-hemoglobin, polymer, 137 residues, Formula weight is not available

Natural source:   Common Name: segmented worms   Taxonomy ID: 129555   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Amphitrite ornata

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

Entity Sequences (FASTA):
Dehaloperoxidase-hemoglobin: GFKQDIATIRGDLRTYAQDI FLAFLNKYPDERRYFKNYVG KSDQELKSMAKFGDHTEKVF NLMMEVADRATDCVPLASDA NTLVQMKQHSSLTTGNFEKL FVALVEYMRASGQSFDSQSW DRFGKNLVSALSSAGMK

Data sets:
Data typeCount
T1 relaxation values240
T2 relaxation values240
heteronuclear NOE values240

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Dehaloperoxidase-hemoglobin1

Entities:

Entity 1, Dehaloperoxidase-hemoglobin 137 residues - Formula weight is not available

1   GLYPHELYSGLNASPILEALATHRILEARG
2   GLYASPLEUARGTHRTYRALAGLNASPILE
3   PHELEUALAPHELEUASNLYSTYRPROASP
4   GLUARGARGTYRPHELYSASNTYRVALGLY
5   LYSSERASPGLNGLULEULYSSERMETALA
6   LYSPHEGLYASPHISTHRGLULYSVALPHE
7   ASNLEUMETMETGLUVALALAASPARGALA
8   THRASPCYSVALPROLEUALASERASPALA
9   ASNTHRLEUVALGLNMETLYSGLNHISSER
10   SERLEUTHRTHRGLYASNPHEGLULYSLEU
11   PHEVALALALEUVALGLUTYRMETARGALA
12   SERGLYGLNSERPHEASPSERGLNSERTRP
13   ASPARGPHEGLYLYSASNLEUVALSERALA
14   LEUSERSERALAGLYMETLYS

Samples:

sample_1: Dehaloperoxidase-hemoglobin, [U-100% 15N], 1 mM; potassium phosphate buffer 100 mM

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 273 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1

Software:

Relax v3.0, E. d Auvergne - data analysis

NMR spectrometers:

  • Bruker Avance 700 MHz

Related Database Links: