BMRB: 10211

Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK

Authors

Abe, H., Miyamoto, K., Tochio, N., Sato, M., Koshiba, S., Harada, T., Watanabe, S., Kigawa, T., Yokoyama, S.

Assembly

Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2)

Entity

1. Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2) (polymer, Thiol state: all free), 85 monomers, 10005.64 Da Detail

GSSGSSGEDN RRPLWEPEET VVIALYDYQT NDPQELALRR NEEYCLLDSS EIHWWRVQDR NGHEGYVPSS YLVEKSPNNL ETYEW

Formula weight

10005.64 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 87.6 %, Completeness (bb): 84.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.6 % (870 of 993)	87.5 % (454 of 519)	89.0 % (339 of 381)	82.8 % (77 of 93)
Backbone	84.8 % (424 of 500)	83.5 % (142 of 170)	86.4 % (216 of 250)	82.5 % (66 of 80)
Sidechain	89.5 % (513 of 573)	89.4 % (312 of 349)	90.0 % (190 of 211)	84.6 % (11 of 13)
Aromatic	94.2 % (98 of 104)	94.2 % (49 of 52)	95.8 % (46 of 48)	75.0 % (3 of 4)
Methyl	94.3 % (66 of 70)	97.1 % (34 of 35)	91.4 % (32 of 35)

1. SH3 domain

GSSGSSGEDN RRPLWEPEET VVIALYDYQT NDPQELALRR NEEYCLLDSS EIHWWRVQDR NGHEGYVPSS YLVEKSPNNL ETYEW

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 298 (±0.1) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	SH3 domain	[U-13C; U-15N]	protein	1.20 mM
2	d-Tris-HCl		buffer	20 mM
3	NaCl		salt	100 mM
4	d-DTT		salt	1 mM
5	NaN3		salt	0.02 %
6	H2O		solvent	90 %
7	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -0.19 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.19 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.39 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	null	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2009-03-17

Citation

Solution structure of the SH3 domain of human Tyrosine-protein kinase ITK/TSK
Abe, H., Miyamoto, K., Tochio, N., Sato, M., Koshiba, S., Harada, T., Watanabe, S., Kigawa, T., Yokoyama, S.

Related entities 1. Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2), : 1 : 2 : 53 entities Detail

Interaction partners 1. Tyrosine-protein kinase ITK/TSK (E.C.2.7.10.2), : 15 interactors Detail

Experiments performed 2 experiments Detail