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 15144

Title: Side-chain relaxation in SH3 domain from alpha-spectrin measured at multiple temperatures   PubMed: 17488010

Authors: Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai

Citation: Xue, Yi; Pavlova, Maria; Ryabov, Yaroslav; Reif, Bernd; Skrynnikov, Nikolai. "Methyl rotation barriers in proteins from 2H relaxation data. Implications for protein structure"  J. Am. Chem. Soc. 129, 6827-6838 (2007).

Assembly members:
SH3_domain_from_chicken_alpha-spectrin, polymer, 62 residues, Formula weight is not available

Natural source:   Common Name: not available   Taxonomy ID: 9031   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Gallus gallus

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

Entity Sequences (FASTA):
SH3_domain_from_chicken_alpha-spectrin: MDETGKELVLALYDYQEKSP REVTMKKGDILTLLNSTNKD WWKVEVNDRQGFVPAAYVKK LD

Data typeCount
order parameters244
T1 relaxation values252
T2 relaxation values252

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1unit 11

Entities:

Entity 1, unit 1 62 residues - Formula weight is not available

1   METASPGLUTHRGLYLYSGLULEUVALLEU
2   ALALEUTYRASPTYRGLNGLULYSSERPRO
3   ARGGLUVALTHRMETLYSLYSGLYASPILE
4   LEUTHRLEULEUASNSERTHRASNLYSASP
5   TRPTRPLYSVALGLUVALASNASPARGGLN
6   GLYPHEVALPROALAALATYRVALLYSLYS
7   LEUASP

Samples:

pyruvate_sample: SH3, [U-15N; U-2H; amide 90%-1H; Leu, Val, Ile-g methyl 40%-1H; Leu, Val, Ile-g methyl 100%-13C], 1.0 mM; H2O 90%; D2O 10%

glucose_sample: SH3, [U-15N; U-13C; 50%-2H, amide 10%-2H], 1.5 mM; H2O 90%; D2O 10%

pyruvate_sample_condition_1: pH: 3.5; temperature: 283 K

pyruvate_sample_condition_2: pH: 3.5; temperature: 290 K

pyruvate_sample_condition_3: pH: 3.5; temperature: 297 K

pyruvate_sample_condition_4: pH: 3.5; temperature: 303 K

glucose_sample_condition_1: pH: 3.5; temperature: 283 K

glucose_sample_condition_2: pH: 3.5; temperature: 290 K

glucose_sample_condition_3: pH: 3.5; temperature: 297 K

glucose_sample_condition_4: pH: 3.5; temperature: 303 K

Experiments:

NameSampleSample stateSample conditions
methyl 2H R1pyruvate_sampleisotropicpyruvate_sample_condition_1
methyl 2H R2pyruvate_sampleisotropicpyruvate_sample_condition_1
methyl 2H R1glucose_sampleisotropicglucose_sample_condition_1
methyl 2H R2glucose_sampleisotropicglucose_sample_condition_1

Software:

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

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

NMR spectrometers:

  • Varian INOVA 600 MHz

Related Database Links:

BMRB 15013 17915
PDB
DBJ BAD52438 BAD93097 BAG57892 BAG62120 BAG72795
EMBL CAA29435 CAA32663 CAA62350 CAB53710 CAF90367
GB AAA51702 AAA51790 AAA52468 AAB41498 AAB60364
REF NP_001036003 NP_001090674 NP_001091958 NP_001107628 NP_001123910
SP P07751 P16086 P16546 Q13813
TPG DAA24188