BMRB Entry 34057

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR34057
MolProbity Validation Chart

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Title:
Solution structure of CUG-BP2 RRM3 in complex with 5'-UUUAA-3' RNA
Deposition date:
2016-10-28
Original release date:
2017-10-05
Authors:
Diarra dit Konte, N.; Damberger, F.; Allain, F.
Citation:

Citation: Diarra dit Konte, N.; Krepl, M.; Damberger, F.; Ripin, N.; Duss, O.; Sponer, J.; Allain, F.. "Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination"  Nat. Commun. 8, 654-654 (2017).
PubMed: 28935965

Assembly members:

Assembly members:
CUGBP Elav-like family member 2, polymer, 114 residues, 12842.679 Da.
RNA (5'-R(*UP*UP*UP*AP*A)-3'), polymer, 5 residues, 1531.952 Da.

Natural source:

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

Experimental source:

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

Entity Sequences (FASTA):

Entity Sequences (FASTA):
CUGBP Elav-like family member 2: MGSSHHHHHHSSGLVPRGSH MQKEGPEGANLFIYHLPQEF GDQDILQMFMPFGNVISAKV FIDKQTNLSKCFGFVSYDNP VSAQAAIQAMNGFQIGMKRL KVQLKRSKNDSKPW
RNA (5'-R(*UP*UP*UP*AP*A)-3'): UUUAA

Data typeCount
13C chemical shifts335
15N chemical shifts114
1H chemical shifts773
coupling constants105

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 114 residues - 12842.679 Da.

1   METGLYSERSERHISHISHISHISHISHIS
2   SERSERGLYLEUVALPROARGGLYSERHIS
3   METGLNLYSGLUGLYPROGLUGLYALAASN
4   LEUPHEILETYRHISLEUPROGLNGLUPHE
5   GLYASPGLNASPILELEUGLNMETPHEMET
6   PROPHEGLYASNVALILESERALALYSVAL
7   PHEILEASPLYSGLNTHRASNLEUSERLYS
8   CYSPHEGLYPHEVALSERTYRASPASNPRO
9   VALSERALAGLNALAALAILEGLNALAMET
10   ASNGLYPHEGLNILEGLYMETLYSARGLEU
11   LYSVALGLNLEULYSARGSERLYSASNASP
12   SERLYSPROTRP

Entity 2, entity_2 5 residues - 1531.952 Da.

1   UUUAA

Samples:

sample_1: 5'-UUUAA-3' RNA, non-labeled, 1.8 mM; CUG-BP2 third RNA Recognition Motif, [U-99% 13C; U-99% 15N], 0.6 mM; H2O 95%; D2O 5%

sample_2: 5'-UUUAA-3' RNA, non-labeled, 0.8 mM; CUG-BP2 third RNA Recognition Motif, [U-99% 13C; U-99% 15N], 0.8 mM; H2O 95%; D2O 5%

sample_3: 5'-UUUAA-3' RNA, non-labeled, 0.8 mM; CUG-BP2 third RNA Recognition Motif, [U-99% 15N], 0.8 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 130 mM; pH: 5.8; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aliphaticsample_1isotropicsample_conditions_1
2D 1H-13C HSQC aromaticsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aliphaticsample_1isotropicsample_conditions_1
3D 1H-13C NOESY aromaticsample_1isotropicsample_conditions_1
2D 1H-15N HSQC long rangesample_1isotropicsample_conditions_1
3D HNHAsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_2isotropicsample_conditions_1
2D 1H-1H NOESYsample_2isotropicsample_conditions_1
2D F2 13C-filtered 1H-1H NOESYsample_2isotropicsample_conditions_1
natural abundance 2D 13C-1H HSQCsample_3isotropicsample_conditions_1
3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aliphaticsample_2isotropicsample_conditions_1
3D F1 13C-filtered 1H-1H NOESY 13C-1H HSQC aromaticsample_2isotropicsample_conditions_1
2D spin-echo difference constant time HN(CO)CGsample_2isotropicsample_conditions_1
2D spin-echo difference constant time 1H-15N HSQCsample_2isotropicsample_conditions_1

Software:

AMBER, Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman - refinement

CANDID, Herrmann, Guntert and Wuthrich - peak picking

CYANA, Guntert, Mumenthaler and Wuthrich - structure calculation

SPARKY, Goddard - chemical shift assignment, data analysis

TOPSPIN, Bruker Biospin - collection, processing

NMR spectrometers:

  • Bruker AvanceIII 600 MHz
  • Bruker AvanceIII HD 600 MHz
  • Bruker AvanceIII 900 MHz
  • Bruker AvanceIII 750 MHz
  • Bruker AvanceIII 700 MHz

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