BMRB Entry 16809

Name: Ensemble Structures of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase.
Published: 2012-08-03

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PDB ID: 2k7a
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_anomalous, AVS_full, LACS
BMRB Entry DOI: doi:10.13018/BMR16809
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Bioinformatics (2015) 31 (8): 1322-1324 doi:10.1093/bioinformatics/btu829

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Title: Ensemble Structures of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase.

Deposition date: 2010-03-31 Original release date: 2012-08-03

Authors: Andreotti, Amy; Severin, Andrew; Fulton, Donald

Citation: Severin, Andrew; Fulton, Donald; Andreotti, Amy. "Solution Structure of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase" Not known ., .-..

Assembly members:
Itk_SH3_domain, polymer, 63 residues, 7356.008 Da.
Itk_SH2_domain, polymer, 108 residues, 12534.314 Da.

Natural source: Common Name: house 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):
Itk_SH3_domain: GSPEETLVIALYDYQTNDPQ ELALRCDEEYYLLDSSEIHW WRVQDKNGHEGYAPSSYLVE KSP
Itk_SH2_domain: NNLETYEWYNKSISRDKAEK LLLDTGKEGAFMVRDSRTPG TYTVSVFTKAIISENPCIKH YHIKETNDSPKRYYVAEKYV FDSIPLLIQYHQYNGGGLVT RLRYPVCG

Data sets:

assigned_chemical_shifts
- assigned_chem_shift_list_SH2_35%_bound
- assigned_chem_shift_list_SH2_77%_bound

Data type	Count
13C chemical shifts	1330
15N chemical shifts	358
1H chemical shifts	2088

Additional metadata:

Assembly
Samples and Experiments
Software
Spectrometers
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Entity Assembly ID	Entity Name	Entity ID
1	Itk_SH3_domain	1
2	Itk_SH2_domain	2

Samples:

SH3_35%_bound: Itk SH3 domain, [U-100% 13C; U-100% 15N], 3.4 mM; Itk SH2 domain 1.5 mM; H2O 95%; D2O 5%; NaCl 75 mM

SH2_35%_bound: Itk SH2 domain, [U-100% 13C; U-100% 15N], 3.4 mM; Itk SH3 domain 1.5 mM; H2O 95%; D2O 5%; NaCl 75 mM

SH2_77%_bound: Itk SH2 domain, [U-100% 13C; U-100% 15N], 1.5 mM; Itk SH3 domain 3.4 mM; H2O 95%; D2O 5%; NaCl 75 mM

SH3_77%_bound: Itk SH3 domain, [U-100% 13C; U-100% 15N], 1.5 mM; Itk SH2 domain 3.4 mM; H2O 95%; D2O 5%; NaCl 75 mM

isotropic_conditions_1: ionic strength: 75 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

anisotropic_conditions_2: ionic strength: 75 mM; pH: 7.4; pressure: 1 atm; temperature: 298 K

Experiments:

Name	Sample	Sample state	Sample conditions
2D 1H-15N HSQC	SH3_35%_bound	isotropic	isotropic_conditions_1
2D 1H-13C HSQC	SH3_35%_bound	isotropic	isotropic_conditions_1
3D CBCA(CO)NH	SH3_35%_bound	isotropic	isotropic_conditions_1
3D HNCO	SH3_35%_bound	isotropic	isotropic_conditions_1
3D HNCACB	SH3_35%_bound	isotropic	isotropic_conditions_1
3D HBHA(CO)NH	SH3_35%_bound	isotropic	isotropic_conditions_1
3D HCCH-TOCSY	SH3_35%_bound	isotropic	isotropic_conditions_1
3D 1H-15N NOESY	SH3_35%_bound	isotropic	isotropic_conditions_1
3D 1H-15N TOCSY	SH3_35%_bound	isotropic	isotropic_conditions_1
3D 1H-13C NOESY	SH3_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH3_35%_bound	isotropic	isotropic_conditions_1
3D HNCA COSY	SH3_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH3_35%_bound	anisotropic	anisotropic_conditions_2
3D HNCA COSY	SH3_35%_bound	anisotropic	anisotropic_conditions_2
(HB)CB(CGCDCE)HE	SH3_35%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCD)HD	SH3_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N HSQC	SH2_35%_bound	isotropic	isotropic_conditions_1
2D 1H-13C HSQC	SH2_35%_bound	isotropic	isotropic_conditions_1
3D CBCA(CO)NH	SH2_35%_bound	isotropic	isotropic_conditions_1
3D HNCO	SH2_35%_bound	isotropic	isotropic_conditions_1
3D HNCACB	SH2_35%_bound	isotropic	isotropic_conditions_1
3D HNCACB	SH2_35%_bound	isotropic	isotropic_conditions_1
3D HBHA(CO)NH	SH2_35%_bound	isotropic	isotropic_conditions_1
3D HCCH-TOCSY	SH2_35%_bound	isotropic	isotropic_conditions_1
3D 1H-15N NOESY	SH2_35%_bound	isotropic	isotropic_conditions_1
3D 1H-15N TOCSY	SH2_35%_bound	isotropic	isotropic_conditions_1
3D 1H-13C NOESY	SH2_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH2_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH2_35%_bound	anisotropic	anisotropic_conditions_2
(HB)CB(CGCDCE)HE	SH2_35%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCD)HD	SH2_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N HSQC	SH2_35%_bound	isotropic	isotropic_conditions_1
2D 1H-15N HSQC	SH2_77%_bound	isotropic	isotropic_conditions_1
2D 1H-15N HSQC	SH3_77%_bound	isotropic	isotropic_conditions_1
2D 1H-13C HSQC	SH2_77%_bound	isotropic	isotropic_conditions_1
2D 1H-13C HSQC	SH3_77%_bound	isotropic	isotropic_conditions_1
3D CBCA(CO)NH	SH2_77%_bound	isotropic	isotropic_conditions_1
3D CBCA(CO)NH	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HNCO	SH2_77%_bound	isotropic	isotropic_conditions_1
3D HNCO	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HNHA	SH2_77%_bound	isotropic	isotropic_conditions_1
3D HNHA	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HNCACB	SH2_77%_bound	isotropic	isotropic_conditions_1
3D HNCACB	SH3_77%_bound	isotropic	isotropic_conditions_1
3D 1H-15N NOESY	SH2_77%_bound	isotropic	isotropic_conditions_1
3D 1H-15N NOESY	SH3_77%_bound	isotropic	isotropic_conditions_1
3D 1H-15N TOCSY	SH2_77%_bound	isotropic	isotropic_conditions_1
3D 1H-15N TOCSY	SH3_77%_bound	isotropic	isotropic_conditions_1
3D 1H-13C NOESY	SH2_77%_bound	isotropic	isotropic_conditions_1
3D 1H-13C NOESY	SH3_77%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCD)HD	SH2_77%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCD)HD	SH3_77%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCDCE)HE	SH2_77%_bound	isotropic	isotropic_conditions_1
(HB)CB(CGCDCE)HE	SH3_77%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH2_77%_bound	isotropic	isotropic_conditions_1
2D 1H-15N IPAP	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HNCA COSY	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HNCA COSY	SH3_77%_bound	anisotropic	anisotropic_conditions_2
2D 1H-15N IPAP	SH2_77%_bound	anisotropic	anisotropic_conditions_2
2D 1H-15N IPAP	SH3_77%_bound	anisotropic	anisotropic_conditions_2
3D HBHA(CO)NH	SH2_77%_bound	isotropic	isotropic_conditions_1
3D HBHA(CO)NH	SH3_77%_bound	isotropic	isotropic_conditions_1
3D HCCH-TOCSY	SH2_77%_bound	isotropic	isotropic_conditions_1
3D HCCH-TOCSY	SH3_77%_bound	isotropic	isotropic_conditions_1
2D 1H-15N HSQC	SH2_77%_bound	isotropic	isotropic_conditions_1

BMRB	11018 15912 15912 5461
PDB	1AWJ 2K79 2K7A 2RN8 2RNA 1LUI 1LUK 1LUM 1LUN 2ETZ 2EU0 2K79 2K7A 3S9K
DBJ	BAA03129 BAE32118 BAA03129 BAC29830 BAE32118
GB	AAA39337 AAA40518 AAI28375 AAI28376 EDL33821 AAA39337 AAA40518 AAI28375 AAI28376 EDL33821
REF	NP_001102295 NP_001268894 NP_001268895 NP_001268896 NP_001268897 NP_001102295 NP_001268894 NP_001268895 NP_001268897 NP_034713
SP	Q03526 Q03526

Biological Magnetic Resonance Data Bank

BMRB Entry 16809

Title: Ensemble Structures of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase.

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