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 16643

Title: RDC refined high resolution structure of the third SH3 domain of CD2AP   PubMed: 21519904

Authors: Ortega Roldan, Jose-Luis; Azuaga, Ana; van Nuland, Nico; Blackledge, Martin

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).

Assembly members:
SH3-C, polymer, 64 residues, 7148.993 Da.

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

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

Entity Sequences (FASTA):
SH3-C: GAMGAKEYCRTLFPYTGTNE DELTFREGEIIHLISKETGE AGWWKGELNGKEGVFPDNFA VQIS

Data sets:
Data typeCount
13C chemical shifts118
15N chemical shifts61
1H chemical shifts224
residual dipolar couplings230

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1CD2AP SH3-C monomer1

Entities:

Entity 1, CD2AP SH3-C monomer 64 residues - 7148.993 Da.

1   GLYALAMETGLYALALYSGLUTYRCYSARG
2   THRLEUPHEPROTYRTHRGLYTHRASNGLU
3   ASPGLULEUTHRPHEARGGLUGLYGLUILE
4   ILEHISLEUILESERLYSGLUTHRGLYGLU
5   ALAGLYTRPTRPLYSGLYGLULEUASNGLY
6   LYSGLUGLYVALPHEPROASPASNPHEALA
7   VALGLNILESER

Samples:

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

sample_2: SH3-C, [U-98% 13C; U-98% 15N], 0.6-0.8 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 HNCOsample_1isotropicsample_conditions_1
3D HBHA(CO)NHsample_1isotropicsample_conditions_1
3D HNCO JNHsample_2anisotropicsample_conditions_1
3D HNCO JHNCsample_2anisotropicsample_conditions_1
3D HNCO JCCsample_2anisotropicsample_conditions_1
3D HN(CO)CA JCaHasample_2anisotropicsample_conditions_1

Software:

CNS 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 15407
PDB