BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 25502

Title: Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals   PubMed: 25749872

Deposition date: 2015-04-20 Original release date: 2015-04-20

Authors: Chi, Celestine; Strotz, Dean; Riek, Roland; Voegeli, Beat

Citation: Chi, Celestine; Strotz, Dean; Riek, Roland; Voegeli, Beat. "Extending the eNOE data set of large proteins by evaluation of NOEs with unresolved diagonals"  J. Biomol. NMR 62, 63-69 (2015).

Assembly members:
entity_1, polymer, 165 residues, 18036.637 Da.
4-[(E)-(4-hydroxynaphthalen-1-yl)diazenyl]benzenesulfonic acid, non-polymer, 328.342 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
entity_1: MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE

Data sets:
Data typeCount
13C chemical shifts445
15N chemical shifts173
1H chemical shifts1131

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1entity_11
2ORI2

Entities:

Entity 1, entity_1 165 residues - 18036.637 Da.

1   METVALASNPROTHRVALPHEPHEASPILE
2   ALAVALASPGLYGLUPROLEUGLYARGVAL
3   SERPHEGLULEUPHEALAASPLYSVALPRO
4   LYSTHRALAGLUASNPHEARGALALEUSER
5   THRGLYGLULYSGLYPHEGLYTYRLYSGLY
6   SERCYSPHEHISARGILEILEPROGLYPHE
7   METCYSGLNGLYGLYASPPHETHRARGHIS
8   ASNGLYTHRGLYGLYLYSSERILETYRGLY
9   GLULYSPHEGLUASPGLUASNPHEILELEU
10   LYSHISTHRGLYPROGLYILELEUSERMET
11   ALAASNALAGLYPROASNTHRASNGLYSER
12   GLNPHEPHEILECYSTHRALALYSTHRGLU
13   TRPLEUASPGLYLYSHISVALVALPHEGLY
14   LYSVALLYSGLUGLYMETASNILEVALGLU
15   ALAMETGLUARGPHEGLYSERARGASNGLY
16   LYSTHRSERLYSLYSILETHRILEALAASP
17   CYSGLYGLNLEUGLU

Entity 2, ORI - C16 H12 N2 O4 S - 328.342 Da.

1   ORI

Samples:

sample_1: entity_1, [U-100% 13C; U-100% 15N], 1.5 mM; sodium phosphate 150 mM

sample_conditions_1: ionic strength: 0.15 M; pH: 6.5; pressure: 1 atm; temperature: 299 K

Experiments:

NameSampleSample stateSample conditions
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1

Software:

CYANA, G??ntert P. - refinement

NMR spectrometers:

  • Bruker Avance 700 MHz

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