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 6685

Title: NMR Structure of AlkB   PubMed: 16258838

Deposition date: 2005-06-13 Original release date: 2005-11-07

Authors: Shivarattan, Tara; Matthews, Stephen

Citation: Shivarattan, Tara; Chen, Ho Ann; Simpson, Pete; Sedgwick, Barbara; Matthews, Stephen. "Resonance Assignments of Escherichia Coli AlkB: A Key 2-oxoglutarate and Fe(II) Dependent Dioxygenase of the Adaptive DNA-repair Response"  J. Biomol. NMR 33, 138-138 (2005).

Assembly members:
AlkB, polymer, 217 residues, Formula weight is not available
FE2, non-polymer, 55.845 Da.
2-OXOGLUTARIC ACID, non-polymer, 146.098 Da.

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Eubacteria   Kingdom: Not applicable   Genus/species: Escherichia Escherichia coli

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
AlkB: MALDLFADGEPWQEPLAAGA VILRRFAFNAAEQLIRDIND VASQSPFRQMVTPGGYTMSV AMTNCGHLGWTSHRQGYLYS PIDPQTNKPWPAMPQSFHNL CQRAATAAGYPDFQPDACLI NRYAPGAKLSLHQDKDEPDL RAPIVSVSLGLPAIFQFGGL KRNDPLKRLLLEHGDVVVWG GESRLFYHGIQPLKAGFHPL TTDCRYNLTFRQAGKKE

Data sets:
Data typeCount
13C chemical shifts618
15N chemical shifts167
1H chemical shifts735

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1AlkB1
2IRON (II) ION2
32-oxoglutarate3

Entities:

Entity 1, AlkB 217 residues - Formula weight is not available

1   METALALEUASPLEUPHEALAASPGLYGLU
2   PROTRPGLNGLUPROLEUALAALAGLYALA
3   VALILELEUARGARGPHEALAPHEASNALA
4   ALAGLUGLNLEUILEARGASPILEASNASP
5   VALALASERGLNSERPROPHEARGGLNMET
6   VALTHRPROGLYGLYTYRTHRMETSERVAL
7   ALAMETTHRASNCYSGLYHISLEUGLYTRP
8   THRSERHISARGGLNGLYTYRLEUTYRSER
9   PROILEASPPROGLNTHRASNLYSPROTRP
10   PROALAMETPROGLNSERPHEHISASNLEU
11   CYSGLNARGALAALATHRALAALAGLYTYR
12   PROASPPHEGLNPROASPALACYSLEUILE
13   ASNARGTYRALAPROGLYALALYSLEUSER
14   LEUHISGLNASPLYSASPGLUPROASPLEU
15   ARGALAPROILEVALSERVALSERLEUGLY
16   LEUPROALAILEPHEGLNPHEGLYGLYLEU
17   LYSARGASNASPPROLEULYSARGLEULEU
18   LEUGLUHISGLYASPVALVALVALTRPGLY
19   GLYGLUSERARGLEUPHETYRHISGLYILE
20   GLNPROLEULYSALAGLYPHEHISPROLEU
21   THRTHRASPCYSARGTYRASNLEUTHRPHE
22   ARGGLNALAGLYLYSLYSGLU

Entity 2, IRON (II) ION - Fe - 55.845 Da.

1   FE2

Entity 3, 2-oxoglutarate - C5 H6 O5 - 146.098 Da.

1   AKG

Samples:

sample_1: AlkB 0.30 mM; Ferrous Sulphate 5 ± 0.5 mM; 2-oxoglutarate 10 ± 0.5 mM; Ascorbic acid 20 ± 0.5 mM; Sodium Dithionite 2 ± 1 mM; Tris-HCl 50 ± 0.5 mM

conditions_1: pH: 7.6; temperature: 310 K

Experiments:

NameSampleSample stateSample conditions
1H15N_HSQCsample_1not availableconditions_1
HNCACB(CO)NHsample_1not availableconditions_1
CBCA(CO)NHsample_1not availableconditions_1
HNCOsample_1not availableconditions_1
HN(CA)COsample_1not availableconditions_1
HCCH_TOCSYsample_1not availableconditions_1

Software:

NMRView v5.0 -

NMR spectrometers:

  • Bruker DRX 500 MHz

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