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 17600

Title: Solution structure of the isolated Par-6 PDZ domain   PubMed: 22078569

Deposition date: 2011-04-25 Original release date: 2011-12-01

Authors: Volkman, B.; Whitney, D.; Peterson, F.

Citation: Whitney, Dustin; Peterson, Francis; Volkman, Brian. "A Conformational Switch in the CRIB-PDZ Module of Par-6"  Structure 19, 1711-1722 (2011).

Assembly members:
Par-6, polymer, 102 residues, 10926.561 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):
Par-6: GSETHRRVRLLKHGSDKPLG FYIRDGTSVRVTASGLEKQP GIFISRLVPGGLAESTGLLA VNDEVIEVNGIEVAGKTLDQ VTDMMVANSSNLIITVKPAN QR

Data sets:
Data typeCount
13C chemical shifts427
15N chemical shifts103
1H chemical shifts682

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1Par-61

Entities:

Entity 1, Par-6 102 residues - 10926.561 Da.

The N-terminal GS dipeptide is a cloning artifact.

1   GLYSERGLUTHRHISARGARGVALARGLEU
2   LEULYSHISGLYSERASPLYSPROLEUGLY
3   PHETYRILEARGASPGLYTHRSERVALARG
4   VALTHRALASERGLYLEUGLULYSGLNPRO
5   GLYILEPHEILESERARGLEUVALPROGLY
6   GLYLEUALAGLUSERTHRGLYLEULEUALA
7   VALASNASPGLUVALILEGLUVALASNGLY
8   ILEGLUVALALAGLYLYSTHRLEUASPGLN
9   VALTHRASPMETMETVALALAASNSERSER
10   ASNLEUILEILETHRVALLYSPROALAASN
11   GLNARG

Samples:

sample: Par-6, [U-100% 13C; U-100% 15N], 1 mM; sodium phosphate 20 mM; potassium chloride 50 mM

sample_conditions_1: ionic strength: 53 mM; pH: 5.5; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
3D_15N-separated_NOESYsampleisotropicsample_conditions_1
3D_13C-separated_NOESYsampleisotropicsample_conditions_1
3D_13C-separated_NOESY (AROMATIC)sampleisotropicsample_conditions_1

Software:

X-PLOR NIH v2.9.3, SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. - refinement

TOPSPIN v2.1, Bruker - collection

NMRPipe v2007, Delagio,F. et al. - processing

XEASY v1.3, Eccles, C., Guntert, P., Billeter, M., Wuthrich, K. - data analysis

GARANT v2.1, C. Bartels - data analysis

CYANA v2.1, Guntert, P. - structural calculation

NMR spectrometers:

  • Bruker Avance II 600 MHz

Related Database Links:

BMRB 17599
PDB
GB AAD15927 AAF48757 AAL28917 AAN09592 ACL90845
REF NP_573238 NP_728094 XP_001355305 XP_001963708 XP_001977590

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