BMRB Entry 16401

Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16401

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Title:
Separation of Inhibitor and Substrate Binding Locations in the Globin Dehaloperoxidase
Deposition date:
2009-07-09
Original release date:
2010-02-17
Authors:
Davis, Michael; Bobay, Benjamin; Franzen, Stefan
Citation:

Citation: Davis, Michael; Bobay, Benjamin; Franzen, Stefan. "Determination of separate inhibitor and substrate binding sites in the dehaloperoxidase-hemoglobin from Amphitrite ornata."  Biochemistry 49, 1199-1206 (2010).
PubMed: 20067301

Assembly members:

Assembly members:
DHPCN, polymer, 145 residues, Formula weight is not available
HEM, non-polymer, 616.487 Da.

Natural source:

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

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Amphitrite ornata   Vector: pET-16b

Entity Sequences (FASTA):

Entity Sequences (FASTA):
DHPCN: MGHHHHHHGFKQDIATIRGD LRTYAQDIFLAFLNKYPDER RYFKNYVGKSDQELKSMAKF GDHTEKVFNLMMEVADRATD CVPLASDANTLVQMKQHSSL TTGNFEKLFVALVEYMRASG QSFDSQSWDRFGKNLVSALS SAGMK

Data sets:
Data typeCount
13C chemical shifts388
15N chemical shifts128
1H chemical shifts128

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1DHPCN1
2Heme2

Entities:

Entity 1, DHPCN 145 residues - Formula weight is not available

1   METGLYHISHISHISHISHISHISGLYPHE
2   LYSGLNASPILEALATHRILEARGGLYASP
3   LEUARGTHRTYRALAGLNASPILEPHELEU
4   ALAPHELEUASNLYSTYRPROASPGLUARG
5   ARGTYRPHELYSASNTYRVALGLYLYSSER
6   ASPGLNGLULEULYSSERMETALALYSPHE
7   GLYASPHISTHRGLULYSVALPHEASNLEU
8   METMETGLUVALALAASPARGALATHRASP
9   CYSVALPROLEUALASERASPALAASNTHR
10   LEUVALGLNMETLYSGLNHISSERSERLEU
11   THRTHRGLYASNPHEGLULYSLEUPHEVAL
12   ALALEUVALGLUTYRMETARGALASERGLY
13   GLNSERPHEASPSERGLNSERTRPASPARG
14   PHEGLYLYSASNLEUVALSERALALEUSER
15   SERALAGLYMETLYS

Entity 2, Heme - C34 H32 Fe N4 O4 - 616.487 Da.

1   HEM

Samples:

sample_1: DHPCN, [U-99% 13C; U-99% 15N], 1.6 mM; potassium phosphate 100 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.1 M; pH: 7.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

NMRPipe, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

SPARKY, Goddard - chemical shift assignment, data analysis, peak picking

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

PDB
GB AAF97245

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