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BMRB: 5461

1LUM

Chemical shift assignments Itk SH2 domain, conformation corresponding to cis and trans proline 287

Authors

Mallis, R.J., Brazin, K.N., Fulton, D.BRUCE., Andreotti, A.H.

Assembly

Interleukin-2 tyrosine kinase src homology 2 domain

Entity

1. Interleukin-2 tyrosine kinase src homology 2 domain (polymer, Thiol state: not reported), 118 monomers, 13520.11 Da Detail

GSPNNLETYE WYNKSISRDK AEKLLLDTGK EGAFMVRDSR TPGTYTVSVF TKAIISENPC IKHYHIKETN DSPKRYYVAE KYVFDSIPLL IQYHQYNGGG LVTRLRYPVC GSPGIHRD

Formula weight

13520.11 Da

Source organism

Mus musculus

Exptl. method

NMR

Refine. method

distance geometry and simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 97.5 %, Completeness: 80.7 %, Completeness (bb): 81.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.7 % (1129 of 1399)	86.6 % (632 of 730)	69.6 % (382 of 549)	95.8 % (115 of 120)
Backbone	81.7 % (567 of 694)	94.1 % (224 of 238)	68.4 % (236 of 345)	96.4 % (107 of 111)
Sidechain	81.9 % (667 of 814)	82.9 % (408 of 492)	80.2 % (251 of 313)	88.9 % (8 of 9)
Aromatic	63.0 % (87 of 138)	84.1 % (58 of 69)	42.6 % (29 of 68)	0.0 % (0 of 1)
Methyl	97.4 % (113 of 116)	98.3 % (57 of 58)	96.6 % (56 of 58)

1. Interleukin-2 tyrosine kinase src homology 2 domain

GSPNNLETYE WYNKSISRDK AEKLLLDTGK EGAFMVRDSR TPGTYTVSVF TKAIISENPC IKHYHIKETN DSPKRYYVAE KYVFDSIPLL IQYHQYNGGG LVTRLRYPVC GSPGIHRD

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 7.4 (±0.05)

#	Name	Isotope labeling	Concentration
1	Interleukin-2 tyrosine kinase src homology 2 domain	[U-95% 13C; U-98% 15N]	1.0 mM
2	NaCl		75 mM
3	KPO4		50 mM

Chem. Shift Complete2

Sequence coverage: 98.3 %, Completeness: 82.5 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.5 % (2307 of 2798)	88.5 % (1292 of 1460)	71.6 % (786 of 1098)	95.4 % (229 of 240)
Backbone	82.8 % (1149 of 1388)	94.3 % (449 of 476)	70.6 % (487 of 690)	95.9 % (213 of 222)
Sidechain	84.2 % (1371 of 1628)	85.7 % (843 of 984)	81.8 % (512 of 626)	88.9 % (16 of 18)
Aromatic	62.7 % (173 of 276)	87.0 % (120 of 138)	39.0 % (53 of 136)	0.0 % (0 of 2)
Methyl	97.4 % (226 of 232)	98.3 % (114 of 116)	96.6 % (112 of 116)

1. Interleukin-2 tyrosine kinase src homology 2 domain

GSPNNLETYE WYNKSISRDK AEKLLLDTGK EGAFMVRDSR TPGTYTVSVF TKAIISENPC IKHYHIKETN DSPKRYYVAE KYVFDSIPLL IQYHQYNGGG LVTRLRYPVC GSPGIHRD

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 7.4 (±0.05)

#	Name	Isotope labeling	Concentration
1	Interleukin-2 tyrosine kinase src homology 2 domain	[U-95% 13C; U-98% 15N]	1.0 mM
2	NaCl		75 mM
3	KPO4		50 mM

LACS Plot; CA

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.19 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 1LUI, Strand ID: A Detail

Release date

2003-02-19

Citation 1

Structural characterization of a proline-driven conformational switch within the Itk SH2 domain
Mallis, R.J., Brazin, K.N., Fulton, D.BRUCE., Andreotti, A.H.
Nat. Struct. Biol. (2002), 9, 900-905, PubMed 12402030 , DOI 10.1038/nsb864 , Abstract

Show more 2 citaions

Citation 2

A specific intermolecular association between the regulatory domains of a Tec family kinase
Brazin, K.N., Fulton, D.B., Andreotti, A.H.
J. Mol. Biol. (2000), 302, 607-623, PubMed 10986122 , DOI 10.1006/jmbi.2000.4091 , Abstract

Citation 3

Regulation of the tyrosine kinase Itk by the peptidyl-prolyl isomerase cyclophilin A
Brazin, K.N., Mallis, R.J., Fulton, D.B., Andreotti, A.H.
Proc. Natl. Acad. Sci. U. S. A. (2002), 99, 1899-1904, PubMed 11830645 , DOI 10.1073/pnas.042529199 , Abstract

Hide non-primary 2 citaions

Related entities 1. Interleukin-2 tyrosine kinase src homology 2 domain, : 1 : 1 : 9 : 299 entities Detail

Interaction partners 1. Interleukin-2 tyrosine kinase src homology 2 domain, : 9 interactors Detail

More details for 9 interactors identified by 5 citations

Experiments performed 12 experiments Detail

1 3D 1H-15N NOESY