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BMRB Entry 17515

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR17515
MolProbity Validation Chart

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Title: solution structure of INAD PDZ5 complexed with Kon-tiki peptide   PubMed: 21703451

Deposition date: 2011-03-08 Original release date: 2011-09-01

Authors: Zhang, Mingjie; Wen, Wenyu

Citation: Liu, Wei; Wen, Wenyu; Wei, Zhiyi; Yu, Jiang; Ye, Fei; Liu, Che-Hsiung; Hardie, Roger; Zhang, Mingjie. "The INAD scaffold is a dynamic, redox-regulated modulator of signaling in the Drosophila eye."  Cell 145, 1088-1101 (2011).

Assembly members:
entity, polymer, 106 residues, 11598.470 Da.

Natural source:   Common Name: fruit fly   Taxonomy ID: 7227   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Drosophila melanogaster

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

Entity Sequences (FASTA):
entity: LEKFNVDLMKKAGKELGLSL SPNEIGCTIADLIQGQYPEI DSKLQRGDIITKFNGDALEG LPFQVCYALFKGANGKVSME VTRPKPGSGGSGSLVPRLLR RNQYWV

Data sets:
Data typeCount
13C chemical shifts335
15N chemical shifts109
1H chemical shifts763

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1INAD PDZ5 complexed with Kon-tiki peptide1

Entities:

Entity 1, INAD PDZ5 complexed with Kon-tiki peptide 106 residues - 11598.470 Da.

1   LEUGLULYSPHEASNVALASPLEUMETLYS
2   LYSALAGLYLYSGLULEUGLYLEUSERLEU
3   SERPROASNGLUILEGLYCYSTHRILEALA
4   ASPLEUILEGLNGLYGLNTYRPROGLUILE
5   ASPSERLYSLEUGLNARGGLYASPILEILE
6   THRLYSPHEASNGLYASPALALEUGLUGLY
7   LEUPROPHEGLNVALCYSTYRALALEUPHE
8   LYSGLYALAASNGLYLYSVALSERMETGLU
9   VALTHRARGPROLYSPROGLYSERGLYGLY
10   SERGLYSERLEUVALPROARGLEULEUARG
11   ARGASNGLNTYRTRPVAL

Samples:

sample_1: entity, [U-100% 15N], 1 mM; DTT 10 mM; TRIS 50 mM; sodium chloride 50 mM; EDTA 1 mM; H2O 90%; D2O 10%

sample_2: entity, [U-100% 13C; U-100% 15N], 1 mM; DTT 10 mM; TRIS 50 mM; sodium chloride 50 mM; EDTA 1 mM; H2O 90%; EDTA 10%

sample_3: entity, [U-100% 13C; U-100% 15N], 1 mM; DTT, [U-100% 2H], 10 mM; TRIS, [U-100% 2H], 50 mM; sodium chloride 50 mM; EDTA 1 mM; D2O 100%

sample_4: entity 1 mM; DTT, [U-100% 2H], 10 mM; TRIS, [U-100% 2H], 50 mM; sodium chloride 50 mM; EDTA 1 mM; D2O 100%

sample_conditions_1: ionic strength: 0.1 M; pH: 7; pressure: 1 atm; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_4isotropicsample_conditions_1
2D 1H-1H TOCSYsample_4isotropicsample_conditions_1
3D CBCA(CO)NHsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_3isotropicsample_conditions_1

Software:

CNS, Brunger, Adams, Clore, Gros, Nilges and Read - refinement

CYANA, Guntert, Mumenthaler and Wuthrich - refinement

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

PIPP, Garrett - peak picking

SPARKY, Goddard - peak picking

VNMRJ, Varian - collection

NMR spectrometers:

  • Varian INOVA 750 MHz

Related Database Links:

PDB
GB AAC36490 AAF46915 AAF81203 AAO42637 ADA53567
REF NP_001246470 NP_726260 XP_001976308 XP_002039985 XP_002082688
SP Q24008

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