BMRB Entry 16641

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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/BMR16641
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Title:
RDC refined solution structure of the first SH3 domain of CD2AP
Deposition date:
2009-12-21
Original release date:
2011-05-04
Authors:
Ortega Roldan, Jose-Luis; Azuaga, Ana; van Nuland, Nico
Citation:

Citation: Roldan, Jose L Ortega; Blackledge, Martin; van Nuland, Nico; Azuaga, Ana. "Solution structure, dynamics and thermodynamics of the three SH3 domains of CD2AP."  J. Biomol. NMR 50, 103-117 (2011).
PubMed: 21519904

Assembly members:

Assembly members:
SH3-A, polymer, 61 residues, 6755.5 Da.

Natural source:

Natural source:   Common Name: Mouse   Taxonomy ID: 10090   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Mus musculus

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pETM-11

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3-A: VDYIVEYDYDAVHDDELTIR VGEIIRNVKKLQEEGWLEGE LNGRRGMFPDNFVKEIKRET E

Data sets:
Data typeCount
13C chemical shifts114
15N chemical shifts60
1H chemical shifts120
residual dipolar couplings58

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CD2AP SH3-A monomer1

Entities:

Entity 1, CD2AP SH3-A monomer 61 residues - 6755.5 Da.

1   VALASPTYRILEVALGLUTYRASPTYRASP
2   ALAVALHISASPASPGLULEUTHRILEARG
3   VALGLYGLUILEILEARGASNVALLYSLYS
4   LEUGLNGLUGLUGLYTRPLEUGLUGLYGLU
5   LEUASNGLYARGARGGLYMETPHEPROASP
6   ASNPHEVALLYSGLUILELYSARGGLUTHR
7   GLU

Samples:

sample_1: SH3-A, [U-98% 13C; U-98% 15N], 1 mM

sample_2: SH3-A, [U-98% 15N], 1 mM; PEME:hexanol mixture 5%; NaPi 50 mM; DTT 1 mM

sample_conditions_1: ionic strength: 0 mM; pH: 6.0; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
3D CBCA(CO)NHsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
2D 1H-15N HSQC IPAPsample_2anisotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1

Software:

SCULPTOR vSCULPTOR-CNS 1.2, Brunger, Adams, Clore, Gros, Nilges and Read, Hus, Marion and Blackledge - refinement

NMR spectrometers:

  • Varian Uniform NMR System 600 MHz

Related Database Links:

BMRB 19447
PDB
GB ELW65647

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