BMRB: 25511

Structure and dynamics of the acidosis-resistant a162H mutant of the switch region of troponin I bound to the regulatory domain of troponin C

Authors

Pineda Sanabria, S.E., Robertson, I.M., Sykes, B.D.

Assembly

cChimeraX-A162H, Ca2+ bound

Entity

1. cChimeraX-A162H (polymer, Thiol state: all free), 141 monomers, 16001.95 Da Detail

MHHHHHHGGL VPRGSMDDIY KAAVEQLTEE QKNEFKAAFD IFVLGAEDGS ISTKELGKVM RMLGQNPTPE ELQEMIDEVD EDGSGTVDFD EFLVMMVRCM KDDSENLYFQ GRRVRISADA MMQALLGARH KESLDLRAHL K

2. cChimeraX-A162H, Ca2+ bound, entity CA (non-polymer), 40.078 Da

Total weight

16042.028 Da

Max. entity weight

16001.95 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation

Chem. Shift Complete

Sequence coverage: 66.0 %, Completeness: 19.9 %, Completeness (bb): 43.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	15N
All	19.9 % (197 of 992)	12.3 % (104 of 845)	63.3 % (93 of 147)
Backbone	43.9 % (188 of 428)	32.8 % (95 of 290)	67.4 % (93 of 138)
Sidechain	1.6 % (9 of 564)	1.6 % (9 of 555)	0.0 % (0 of 9)
Aromatic	3.7 % (2 of 54)	3.7 % (2 of 54)
Methyl	2.9 % (2 of 68)	2.9 % (2 of 68)

1. cChimeraX-A162H

MHHHHHHGGL VPRGSMDDIY KAAVEQLTEE QKNEFKAAFD IFVLGAEDGS ISTKELGKVM RMLGQNPTPE ELQEMIDEVD EDGSGTVDFD EFLVMMVRCM KDDSENLYFQ GRRVRISADA MMQALLGARH KESLDLRAHL K

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.4

#	Name	Isotope labeling	Type	Concentration
1	cChimeraX-A162H	[U-100% 15N]		0.5 ~ 0.8 (±0.1) mM
2	Ca2+	natural abundance		2 mM
3	DTT	natural abundance		10 mM
4	potassium chloride	natural abundance		100 mM
5	imidazole	natural abundance		10 mM
6	D2O	natural abundance		5 %

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Heteronucl. T₁

176 T₁ values in 2 lists
Coherence Iz, Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 303 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 303 K, pH 7.4

Experiment name 2D 1H-15N HSQC

Heteronucl. T₂

168 T₂ values in 2 lists
Coherence I(+,-), Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 303 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 303 K, pH 7.4

Experiment name 2D 1H-15N HSQC

Heteronucl. T₁/T₂

166 T₁/T₂ values in 2 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 303 K, pH 7.4 Detail

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Pressure 1 atm, Temperature 303 K, pH 7.4

Release date

2016-06-29

Citation

Structure and Dynamics of the Acidosis-Resistant A162H Mutant of the Switch Region of Troponin I Bound to the Regulatory Domain of Troponin C
Pineda Sanabria, S.E., Robertson, I.M., Sykes, B.D.
Biochemistry (2015), 54, 3583-3593, PubMed 25996354 , DOI 10.1021/acs.biochem.5b00178 , Abstract

Related entities 1. cChimeraX-A162H, : 2 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 4 contents Detail