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BMRB: 16693

2KTC

Solution Structure of a Novel hKv1.1 inhibiting scorpion toxin from Mesibuthus tamulus

Authors

G, S., Upadhyay, S., M. K, M., P. Sarma, S.

Assembly

BTK2

Entity

1. BTK2 (polymer, Thiol state: all disulfide bound), 34 monomers, 3600.259 Da Detail

GSVGCAECPM HCKGKMAKPT CENEVCKCNI GKKD

Formula weight

3600.259 Da

Source organism

Mesobuthus tamulus

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 75.4 %, Completeness (bb): 94.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.4 % (276 of 366)	67.2 % (131 of 195)	83.2 % (114 of 137)	91.2 % (31 of 34)
Backbone	94.0 % (188 of 200)	91.4 % (64 of 70)	95.9 % (94 of 98)	93.8 % (30 of 32)
Sidechain	60.2 % (118 of 196)	53.6 % (67 of 125)	72.5 % (50 of 69)	50.0 % (1 of 2)
Aromatic	0.0 % (0 of 4)	0.0 % (0 of 2)	0.0 % (0 of 2)
Methyl	66.7 % (12 of 18)	77.8 % (7 of 9)	55.6 % (5 of 9)

1. BTK2

GSVGCAECPM HCKGKMAKPT CENEVCKCNI GKKD

Show sample condition

Sample #1

Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

Sample #2

Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
2	BTK2	natural abundance		1.0 ~ 2.0 mM

Protein Blocks Logo

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

Release date

2011-01-24

Citation

Solution structure of BTK-2, a novel hK(v)1.1 inhibiting scorpion toxin, from the eastern Indian scorpion Mesobuthus tamulus
Kumar, G., Upadhyay, S., Mathew, M.K., Sarma, S.P.
Biochim. Biophys. Acta (2011), 1814, 459-469, PubMed 21256986 , DOI 10.1016/j.bbapap.2011.01.006 , Abstract

Related entities 1. BTK2, : 1 : 1 : 16 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

3 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
2	BTK2	natural abundance		1.0 ~ 2.0 mM

4 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
2	BTK2	natural abundance		1.0 ~ 2.0 mM

5 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

6 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

7 3D HNCO

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

8 3D HNCACB

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

9 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

10 3D HCCH-COSY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

11 3D HNHA

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

12 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

13 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

14 3D HACAHBCOSY

Instrument

Bruker Avance - 700 MHz A triple resonance probe equipped with z-axis pulse field gradients

Sample

State isotropic, Solvent system methanol, Pressure 1 atm, Temperature 298 K, pH 7, Details 99% CD3OH, or 99% CD3OD or 90%/10% H20/D20

#	Name	Isotope labeling	Type	Concentration
1	BTK2	[U-99% 13C; U-99% 15N]		1.0 ~ 2.0 mM

nullKeywords BTK-2, Kv1.1, Scorpion Toxin