BMRB: 11157

Solution structure of the BTK motif of human Cytoplasmic tyrosine-protein kinase BMX

Authors

Abe, H., Tochio, N., Tomizawa, T., Koshiba, S., Yoneyama, M., Inoue, M., Kigawa, T., Yokoyama, S.

Assembly

Cytoplasmic tyrosine-protein kinase BMX

Entity

1. BTK (polymer, Thiol state: free and other bound), 50 monomers, 5154.706 Da Detail

GSSGSSGNPH LLVKYHSGFF VDGKFLCCQQ SCKAAPGCTL WEAYSGPSSG

2. ZN (non-polymer), 65.409 Da

Total weight

5220.115 Da

Max. entity weight

5154.706 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:HIS16:ND1	2:ZN1:ZN
2	na	sing	1:CYS27:SG	2:ZN1:ZN
3	na	sing	1:CYS28:SG	2:ZN1:ZN
4	na	sing	1:CYS38:SG	2:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.0 %, Completeness: 85.6 %, Completeness (bb): 81.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	85.6 % (458 of 535)	85.1 % (234 of 275)	87.1 % (182 of 209)	82.4 % (42 of 51)
Backbone	81.0 % (238 of 294)	80.0 % (84 of 105)	81.7 % (116 of 142)	80.9 % (38 of 47)
Sidechain	90.5 % (256 of 283)	88.2 % (150 of 170)	93.6 % (102 of 109)	100.0 % (4 of 4)
Aromatic	97.0 % (64 of 66)	97.0 % (32 of 33)	96.9 % (31 of 32)	100.0 % (1 of 1)
Methyl	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)

1. BTK

GSSGSSGNPH LLVKYHSGFF VDGKFLCCQQ SCKAAPGCTL WEAYSGPSSG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 (±0.001) atm, Temperature 296 (±0.1) K, pH 7.0 (±0.05), Details 1.29mM sample {U-15N,13C;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% {NaN3;} 90% H2O, 10% D2O 50 uM ZnCl2

#	Name	Isotope labeling	Type	Concentration
1	BTK	[U-13C; U-15N]	protein	1.29 mM
2	d-Tris-HCl	natural abundance	buffer	20 mM
3	NaCl	natural abundance	salt	100 mM
4	d-DTT	natural abundance	salt	1 mM
5	NaN3	natural abundance	salt	0.02 %
6	ZnCl2	natural abundance	salt	50 uM
7	H2O		solvent	90 %
8	D2O		solvent	10 %

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LACS Plot; CA

Referencing offset: -2.55 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; CB

Referencing offset: -2.55 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; HA

Referencing offset: 0.02 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; CO

Referencing offset: -1.51 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: 2YS2, Strand ID: A Detail

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Release date

2011-05-04

Citation

Solution structure of the BTK motif of human Cytoplasmic tyrosine-protein kinase BMX
Abe, H., Tochio, N., Tomizawa, T., Koshiba, S., Yoneyama, M., Inoue, M., Kigawa, T., Yokoyama, S.

Related entities 1. BTK, : 1 : 12 entities Detail

Experiments performed 2 experiments Detail