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BMRB Entry 17368

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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/BMR17368
MolProbity Validation Chart

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Title: Fyn SH2 free form   PubMed: 21298565

Deposition date: 2010-12-20 Original release date: 2011-02-09

Authors: Huculeci, Radu; Buts, Lieven; Lenaerts, Tom; van Nuland, Nico

Citation: Huculeci, Radu; Buts, Lieven; Lenaerts, Tom; van Nuland, Nico. "1H, 13C and 15N backbone and side-chain chemical shift assignment of the Fyn SH2 domain and its complex with a phosphotyrosine peptide."  Biomol. NMR Assignments 5, 181-184 (2011).

Assembly members:
FynSH2free_correct, polymer, 112 residues, 13248.1101 Da.

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

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

Entity Sequences (FASTA):
FynSH2free_correct: NHKVHHHHHHMEWYFGKLGR KDAERQLLSFGNPRGTFLIR ESETTKGAYSLSIRDWDDMK GDHVKHYKIRKLDNGGYYIT TRAQFETLQQLVQHYSERAA GLCCRLVVPCHK

Data sets:
Data typeCount
13C chemical shifts480
15N chemical shifts113
1H chemical shifts739

Additional metadata:

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

Entity Assembly IDEntity NameEntity ID
1FynSH2free correct1

Entities:

Entity 1, FynSH2free correct 112 residues - 13248.1101 Da.

1   ASNHISLYSVALHISHISHISHISHISHIS
2   METGLUTRPTYRPHEGLYLYSLEUGLYARG
3   LYSASPALAGLUARGGLNLEULEUSERPHE
4   GLYASNPROARGGLYTHRPHELEUILEARG
5   GLUSERGLUTHRTHRLYSGLYALATYRSER
6   LEUSERILEARGASPTRPASPASPMETLYS
7   GLYASPHISVALLYSHISTYRLYSILEARG
8   LYSLEUASPASNGLYGLYTYRTYRILETHR
9   THRARGALAGLNPHEGLUTHRLEUGLNGLN
10   LEUVALGLNHISTYRSERGLUARGALAALA
11   GLYLEUCYSCYSARGLEUVALVALPROCYS
12   HISLYS

Samples:

sample_1: FynSH2free_correct, [U-98% 13C; U-98% 15N], 0.8 mM

sample_condition_1: ionic strength: 0.050 M; pH: 6.500; pressure: 1.000 atm; temperature: 298.150 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQC/HMQCsample_1isotropicsample_condition_1
3D HNCOsample_1isotropicsample_condition_1
CBCAcoNH ({CA|Cca}coNH)sample_1isotropicsample_condition_1
3D HNCACBsample_1isotropicsample_condition_1
3D HBHA(CO)NHsample_1isotropicsample_condition_1
2D 1H-13C HSQC/HMQCsample_1isotropicsample_condition_1
3D C(CO)NHsample_1isotropicsample_condition_1
3D HCCH-TOCSYsample_1isotropicsample_condition_1
CBcgcdceHE (hbCBcgcdceHE)sample_1isotropicsample_condition_1
CBcgcdHD (hbCBcgcdHD)sample_1isotropicsample_condition_1
3D 1H-15N NOESYsample_1isotropicsample_condition_1
2D 1H-1H NOESYsample_1isotropicsample_condition_1
2D 1H-1H TOCSYsample_1isotropicsample_condition_1
3D 1H-13C NOESYsample_1isotropicsample_condition_1

Software:

ANALYSIS v2.1, CCPN - Assignment

DANGLE v1.1, CCPN - Secondary Structure Prediction

NMRPipe v1, Delaglio - Processing

NMR spectrometers:

  • Varian Varian NMR Systems 600 MHz
  • Varian Varian NMR Systems 800 MHz

Related Database Links:

BMRB 17369 25081
PDB
DBJ BAE33766 BAG70107 BAG70240 BAI46902
EMBL CAA36435
GB AAA36615 AAA49719 AAA82942 AAC08285 AAH32496
REF NP_001071440 NP_001073675 NP_001079077 NP_001080120 NP_001116365
SP A0JNB0 A1Y2K1 P06241 P13406 P39688
TPG DAA26259

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