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 19178

Title: Enteropathogenic Escherichia coli 0111:H- str. 11128 ORF EC0111_1119 similar to bacteriophage lambda ea8.5   PubMed: 23672713

Deposition date: 2013-04-18 Original release date: 2013-06-10

Authors: Donaldson, Logan

Citation: Kwan, Jamie; Smirnova, Ekaterina; Khazai, Shahin; Evanics, Ferenc; Maxwell, Karen; Donaldson, Logan. "The Solution Structures of Two Prophage Homologues of the Bacteriophage Ea8.5 Protein Reveal a Newly Discovered Hybrid Homeodomain/Zinc-Finger Fold."  Biochemistry 52, 3612-3614 (2013).

Assembly members:
MS1, polymer, 99 residues, 11165.3584 Da.
ZINC ION, non-polymer, 65.409 Da.

Natural source:   Common Name: Escherichia 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):
MS1: MKRGVEMSIHDLCEDQEQWA MQTLMGSGVLARCRIHNDVI LDSGNDASSAYKLGTYLYQK DNSCNLFNTLTEARDAIKDA YESYCGIDDCPQCSKYIDD

Data sets:
Data typeCount
13C chemical shifts300
15N chemical shifts85
1H chemical shifts480

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1MS11
2Zinc Ions2

Entities:

Entity 1, MS1 99 residues - 11165.3584 Da.

1   METLYSARGGLYVALGLUMETSERILEHIS
2   ASPLEUCYSGLUASPGLNGLUGLNTRPALA
3   METGLNTHRLEUMETGLYSERGLYVALLEU
4   ALAARGCYSARGILEHISASNASPVALILE
5   LEUASPSERGLYASNASPALASERSERALA
6   TYRLYSLEUGLYTHRTYRLEUTYRGLNLYS
7   ASPASNSERCYSASNLEUPHEASNTHRLEU
8   THRGLUALAARGASPALAILELYSASPALA
9   TYRGLUSERTYRCYSGLYILEASPASPCYS
10   PROGLNCYSSERLYSTYRILEASPASP

Entity 2, Zinc Ions - Zn - 65.409 Da.

1   ZN

Samples:

sample_1: MS1, [U-99% 13C; U-99% 15N], 0.6 mM; H2O 90%; D2O 10%

sample_conditions_1: ionic strength: 0.150 M; pH: 7.800; pressure: 1.000 atm; temperature: 289.000 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
cbcaconh (H[N[co[{CA|ca[C]}]]])sample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
hncaco (H[N[ca[CO]]])sample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D H(CCO)NHsample_1isotropicsample_conditions_1
3D C(CO)NHsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
2D CBHDsample_1isotropicsample_conditions_1
2D CBHEsample_1isotropicsample_conditions_1

Software:

ANALYSIS v2.2, CCPN - peak picking, restraint calculation

CYANA v3, Guntert, Mumenthaler and Wuthrich - structure solution

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

NMR spectrometers:

  • Varian Varian 600 MHz

Related Database Links:

GenBank 257762509
PDB
DBJ BAI35067
EMBL CDP75716 CTS34917 CTS67218 CTS95684 CTT09472
GB AIT33958 AJO84414 EIL04292 ELF56699 EOV88146
REF WP_000022061 WP_000022062 WP_001579642 WP_024231740 WP_025653485

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