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BMRB: 16667

2KSL

Structure of the insecticidal toxin TaITX-1

Authors

Mobli, M., King, G.F.

Assembly

TaITX-1

Entity

1. TaITX-1 (polymer, Thiol state: all disulfide bound), 51 monomers, 5773.323 Da Detail

SEPDEICRAR MTHKEFNYKS NVCNGCGDQV AACEAECFRN DVYTACHEAQ K

Formula weight

5773.323 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS37:SG
2	disulfide	sing	1:CYS23:SG	1:CYS33:SG
3	disulfide	sing	1:CYS26:SG	1:CYS46:SG

Source organism

Eratigena agrestis

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.0 %, Completeness (bb): 96.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.0 % (519 of 558)	96.2 % (280 of 291)	87.2 % (184 of 211)	98.2 % (55 of 56)
Backbone	96.7 % (294 of 304)	97.1 % (100 of 103)	96.7 % (146 of 151)	96.0 % (48 of 50)
Sidechain	87.8 % (266 of 303)	94.1 % (177 of 188)	76.1 % (83 of 109)	100.0 % (6 of 6)
Aromatic	43.2 % (19 of 44)	86.4 % (19 of 22)	0.0 % (0 of 22)
Methyl	93.8 % (30 of 32)	93.8 % (15 of 16)	93.8 % (15 of 16)

1. Ta1a

SEPDEICRAR MTHKEFNYKS NVCNGCGDQV AACEAECFRN DVYTACHEAQ K

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
4	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
5	D2O	natural abundance		100 %

Protein Blocks Logo

Calculated from 25 models in PDB: 2KSL, Strand ID: A Detail

Release date

2015-06-18

Citation

Weaponization of a Hormone: Convergent Recruitment of Hyperglycemic Hormone into the Venom of Arthropod Predators
Mobli, M., Grimm, L.L., Low, C., Volker, H., Bryan, F.G., King, G.F.
Structure (2015), 23, 1283-1292, PubMed 26073605 , DOI 10.1016/j.str.2015.05.003 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 25223 released on 2015-06-21
Title mu-SLPTX3-Ssm6a

Related entities 1. TaITX-1, : 1 : 1 : 1 : 5 entities Detail

Experiments performed 7 experiments Detail

1 3D CBCA(CO)NH

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

2 3D HNCACB

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

3 3D HNCO

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

4 3D 1H-15N NOESY

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

5 4D HCC(CO)NH

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
1	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 900 MHz Spectrometer is equipped with a cryogenically cooled probe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4.4

#	Name	Isotope labeling	Type	Concentration
4	Ta1a	[U-100% 13C; U-100% 15N]		150 uM
5	D2O	natural abundance		100 %

nullKeywords crustacean hyperglycemic hormone, insecticidal toxin, molt-inhibiting hormone, neurotoxin, spider toxin