BMRB Entry 11018

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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/BMR11018
MolProbity Validation Chart

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Title:
NMR structure note: murine Itk SH3 domain
Deposition date:
2007-12-07
Original release date:
2008-01-09
Authors:
Severin, Andrew
Citation:

Citation: Severin, Andrew; Fulton, D.; Andreotti, Amy. "Murine Itk SH3 domain"  (2008).
PubMed: 18320328

Assembly members:

Assembly members:
SH3 domain, polymer, 64 residues, 7474.143 Da.

Natural source:

Natural source:   Common Name: house 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: pgex2T

Entity Sequences (FASTA):

Entity Sequences (FASTA):
SH3 domain: GSPEETLVIALYDYQTNDPQ ELALRCDEEYYLLDSSEIHW WRVQDKNGHEGYAPSSYLVE KSPN

Data sets:
Data typeCount
13C chemical shifts261
15N chemical shifts69
1H chemical shifts373

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Itk Sh3_11
2Itk Sh3_21
3Itk Sh3_31
4Itk Sh3_41
5Itk Sh3_51
6Itk Sh3_61
7Itk Sh3_71
8Itk Sh3_81
9Itk Sh3_91
10Itk Sh3_101
11Itk Sh3_111
12Itk Sh3_121
13Itk Sh3_131
14Itk Sh3_141
15Itk Sh3_151
16Itk Sh3_161
17Itk Sh3_171
18Itk Sh3_181
19Itk Sh3_191
20Itk Sh3_201

Entities:

Entity 1, Itk Sh3_1 64 residues - 7474.143 Da.

1   GLYSERPROGLUGLUTHRLEUVALILEALA
2   LEUTYRASPTYRGLNTHRASNASPPROGLN
3   GLULEUALALEUARGCYSASPGLUGLUTYR
4   TYRLEULEUASPSERSERGLUILEHISTRP
5   TRPARGVALGLNASPLYSASNGLYHISGLU
6   GLYTYRALAPROSERSERTYRLEUVALGLU
7   LYSSERPROASN

Samples:

sample_1: Itk Sh3, [U-100% 13C; U-100% 15N], 3.4 mM; KH2PO4 50 mM; NaCl 75 mM; dithiothreitol (DTT) 2 mM; NaN3 0.02 w/v; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 75 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
15N 1H HSQCsample_1isotropicsample_conditions_1
CBCA(CO)CHsample_1isotropicsample_conditions_1
HNCACBsample_1isotropicsample_conditions_1
HBHA(CO)NHsample_1isotropicsample_conditions_1
HBHANHsample_1isotropicsample_conditions_1
HNCOsample_1isotropicsample_conditions_1
(HB)CB(CGCDCE)HEsample_1isotropicsample_conditions_1
(HB)CB(CGCD)HDsample_1isotropicsample_conditions_1
HCCH-TOCSYsample_1isotropicsample_conditions_1
3D 15N-edited TOCSYsample_1isotropicsample_conditions_1
2D homonuclear TOCSYsample_1isotropicsample_conditions_1
2D homonuclear NOESYsample_1isotropicsample_conditions_1
3D 13C-edited aliphatic NOESYsample_1isotropicsample_conditions_1
3D 13C-edited aromatic NOESYsample_1isotropicsample_conditions_1
15N-edited NOESYsample_1isotropicsample_conditions_1
15N-edited TOCSYsample_1isotropicsample_conditions_1
IPAP 1H-15Nsample_1isotropicsample_conditions_1
J correlation HNHAsample_1isotropicsample_conditions_1
long range coupling HNCO hydrogen bond experimentsample_1isotropicsample_conditions_1

Software:

X-PLOR NIH, Schwieters, Kuszewski, Tjandra and Clore - refinement

CARA, Rochus Keller - Assignment

NMRView, Johnson, One Moon Scientific - Assignment

REDCAT, Homayoun Valafar - RDC data analysis

PREDITOR, Mark V. Berjanskii, Stephen Neal and David S. Wishart - CDIH data analysis

NMR spectrometers:

  • Bruker AVII 700.133 MHz

Related Database Links:

BMRB 15912 16809
PDB
DBJ BAA03129 BAE32118
GB AAA39337 AAA40518 AAI28375 AAI28376 EDL33821
REF NP_001102295 NP_001268894 NP_001268895 NP_001268896 NP_001268897
SP Q03526
AlphaFold Q03526

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