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BMRB: 16809

2K7A

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

Authors

Andreotti, A.H., Severin, A.J., Fulton, D.B.

Assembly

Itk SH3 and Itk SH2 domains

Entity

1. Itk SH3 domain (polymer, Thiol state: all free), 63 monomers, 7349.885 Da Detail

GSPEETLVIA LYDYQTNDPQ ELALRCDEEY YLLDSSEIHW WRVQDKNGHE GYAPSSYLVE KSP

2. Itk SH2 domain (polymer, Thiol state: all free), 108 monomers, 12516.05 Da Detail

NNLETYEWYN KSISRDKAEK LLLDTGKEGA FMVRDSRTPG TYTVSVFTKA IISENPCIKH YHIKETNDSP KRYYVAEKYV FDSIPLLIQY HQYNGGGLVT RLRYPVCG

Total weight

19865.934 Da

Max. entity weight

12516.05 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 86.6 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.6 % (1762 of 2034)	82.5 % (873 of 1058)	89.3 % (713 of 798)	98.9 % (176 of 178)
Backbone	97.4 % (982 of 1008)	97.4 % (334 of 343)	97.0 % (488 of 503)	98.8 % (160 of 162)
Sidechain	79.1 % (939 of 1187)	75.4 % (539 of 715)	84.2 % (384 of 456)	100.0 % (16 of 16)
Aromatic	52.3 % (112 of 214)	68.2 % (73 of 107)	34.6 % (36 of 104)	100.0 % (3 of 3)
Methyl	94.7 % (161 of 170)	94.1 % (80 of 85)	95.3 % (81 of 85)

1. Itk SH3 domain

GSPEETLVIA LYDYQTNDPQ ELALRCDEEY YLLDSSEIHW WRVQDKNGHE GYAPSSYLVE KSP

2. Itk SH2 domain

NNLETYEWYN KSISRDKAEK LLLDTGKEGA FMVRDSRTPG TYTVSVFTKA IISENPCIKH YHIKETNDSP KRYYVAEKYV FDSIPLLIQY HQYNGGGLVT RLRYPVCG

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

Chem. Shift Complete2

Sequence coverage: 100.0 %, Completeness: 85.1 %, Completeness (bb): 93.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.1 % (3461 of 4068)	83.1 % (1758 of 2116)	84.6 % (1350 of 1596)	99.2 % (353 of 356)
Backbone	93.8 % (1892 of 2016)	98.0 % (672 of 686)	89.4 % (899 of 1006)	99.1 % (321 of 324)
Sidechain	79.6 % (1889 of 2374)	75.9 % (1086 of 1430)	84.5 % (771 of 912)	100.0 % (32 of 32)
Aromatic	52.3 % (224 of 428)	68.2 % (146 of 214)	34.6 % (72 of 208)	100.0 % (6 of 6)
Methyl	96.2 % (327 of 340)	95.3 % (162 of 170)	97.1 % (165 of 170)

1. Itk SH3 domain

GSPEETLVIA LYDYQTNDPQ ELALRCDEEY YLLDSSEIHW WRVQDKNGHE GYAPSSYLVE KSP

2. Itk SH2 domain

NNLETYEWYN KSISRDKAEK LLLDTGKEGA FMVRDSRTPG TYTVSVFTKA IISENPCIKH YHIKETNDSP KRYYVAEKYV FDSIPLLIQY HQYNGGGLVT RLRYPVCG

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 2.44 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 2.44 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 3.15 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K7A, Strand ID: A, B Detail

Release date

2012-08-02

Citation

Solution Structure of the binary complex between the SH3 and SH2 domain of interleukin-2 tyrosine kinase
Severin, A.J., Fulton, D.B., Andreotti, A.H.
Not known

Related entities 1. Itk SH3 domain, : 1 : 3 : 4 : 295 entities Detail

Related entities 2. Itk SH2 domain, : 1 : 8 : 1 : 197 entities Detail

Interaction partners 1. Itk SH3 domain, : 7 interactors Detail

More details for 7 interactors identified by 4 citations

Experiments performed 65 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

3 3D CBCA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

4 3D HNCO

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

5 3D HNCACB

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

6 3D HBHA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

7 3D HCCH-TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

9 3D 1H-15N TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

10 3D 1H-13C NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

11 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

12 3D HNCA COSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

13 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

14 3D HNCA COSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

15 (HB)CB(CGCDCE)HE

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

16 (HB)CB(CGCD)HD

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	Itk SH3 domain	[U-100% 13C; U-100% 15N]	3.4 mM
2	Itk SH2 domain	natural abundance	1.5 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %
5	NaCl	natural abundance	75 mM

17 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

18 2D 1H-13C HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

19 3D CBCA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

20 3D HNCO

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

21 3D HNCACB

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

22 3D HNCACB

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

23 3D HBHA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

24 3D HCCH-TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

25 3D 1H-15N NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

26 3D 1H-15N TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

27 3D 1H-13C NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

28 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

29 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

30 (HB)CB(CGCDCE)HE

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

31 (HB)CB(CGCD)HD

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

32 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
6	Itk SH2 domain	[U-100% 13C; U-100% 15N]	3.4 mM
7	Itk SH3 domain	natural abundance	1.5 mM
8	H2O	natural abundance	95 %
9	D2O	natural abundance	5 %
10	NaCl	natural abundance	75 mM

33 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

34 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

35 2D 1H-13C HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

36 2D 1H-13C HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

37 3D CBCA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

38 3D CBCA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

39 3D HNCO

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

40 3D HNCO

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

41 3D HNHA

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

42 3D HNHA

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

43 3D HNCACB

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

44 3D HNCACB

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

45 3D 1H-15N NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

46 3D 1H-15N NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

47 3D 1H-15N TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

48 3D 1H-15N TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

49 3D 1H-13C NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

50 3D 1H-13C NOESY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

51 (HB)CB(CGCD)HD

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

52 (HB)CB(CGCD)HD

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

53 (HB)CB(CGCDCE)HE

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

54 (HB)CB(CGCDCE)HE

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

55 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

56 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

57 3D HNCA COSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

58 3D HNCA COSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

59 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

60 2D 1H-15N IPAP

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

61 3D HBHA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

62 3D HBHA(CO)NH

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

63 3D HCCH-TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

64 3D HCCH-TOCSY

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
16	Itk SH3 domain	[U-100% 13C; U-100% 15N]	1.5 mM
17	Itk SH2 domain	natural abundance	3.4 mM
18	H2O	natural abundance	95 %
19	D2O	natural abundance	5 %
20	NaCl	natural abundance	75 mM

65 2D 1H-15N HSQC

Instrument

Bruker Avii - 700 MHz 700.133

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4

#	Name	Isotope labeling	Concentration
11	Itk SH2 domain	[U-100% 13C; U-100% 15N]	1.5 mM
12	Itk SH3 domain	natural abundance	3.4 mM
13	H2O	natural abundance	95 %
14	D2O	natural abundance	5 %
15	NaCl	natural abundance	75 mM

nullKeywords binary complex, cis/trans, isomerization, novel, proline, SH2, SH3, cis

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Found 1 Document (1.584 seconds)

BMRB: 16809

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Sample #2

Sample #3

Sample #4

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Itk SH3 domain, : 1 : 3 : 4 : 295 entities Detail

Related entities 2. Itk SH2 domain, : 1 : 8 : 1 : 197 entities Detail

Interaction partners 1. Itk SH3 domain, : 7 interactors Detail

Experiments performed 65 experiments Detail

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