BMRBj - BMREntryMaster

Found 1 Document (1.225 seconds)

BMRB: 30597

Wasabi Receptor Toxin

Authors

Lin King, J.V., Kelly, M.J.S., Julius, D.

Assembly

Wasabi Receptor Toxin

Entity

1. Wasabi Receptor Toxin (polymer, Thiol state: all disulfide bound), 33 monomers, 3859.322 Da Detail

ASPQQAKYCY EQCNVNKVPF DQCYQMCSPL ERS

Formula weight

3859.322 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS27:SG
2	disulfide	sing	1:CYS13:SG	1:CYS23:SG

Source organism

Urodacus manicatus

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.2 %, Completeness (bb): 75.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	88.2 % (313 of 355)	98.6 % (206 of 209)	73.3 % (107 of 146)
Backbone	75.3 % (122 of 162)	98.4 % (62 of 63)	60.6 % (60 of 99)
Sidechain	99.1 % (224 of 226)	98.6 % (144 of 146)	100.0 % (80 of 80)
Aromatic	100.0 % (34 of 34)	100.0 % (17 of 17)	100.0 % (17 of 17)
Methyl	100.0 % (16 of 16)	100.0 % (8 of 8)	100.0 % (8 of 8)

1. entity 1

ASPQQAKYCY EQCNVNKVPF DQCYQMCSPL ERS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Wasabi Receptor Toxin	natural abundance		300 uM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

Protein Blocks Logo

Calculated from 50 models in PDB: 6OFA, Strand ID: A Detail

Release date

2019-07-09

Citation

A Cell-Penetrating Scorpion Toxin Enables Mode-Specific Modulation of TRPA1 and Pain
Lin King, J.V., Emrick, J.J., Kelly, M.J.S., Herzig, V., King, G.F., Medzihradszky, K.F., Julius, D.
Cell (2019), 178, 1362-1374, PubMed 31447178 , DOI 10.1016/j.cell.2019.07.014 , Abstract

Related entities 1. Wasabi Receptor Toxin, : 4 entities Detail

Experiments performed 8 experiments Detail

1 2D 1H-1H COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Wasabi Receptor Toxin	natural abundance		300 uM

2 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Wasabi Receptor Toxin	natural abundance		300 uM

3 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	Wasabi Receptor Toxin	natural abundance		300 uM

4 2D 1H-1H COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

5 2D 1H-1H TOCSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

6 2D 1H-1H NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

7 2D 1H-13C HSQC aliphatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

8 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 4 (±0), Details 300 uM Wasabi Receptor Toxin, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	Wasabi Receptor Toxin	natural abundance		300 uM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30597_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:9:CYS:SG	1:27:CYS:SG	oxidized, CB 38.8 ppm	oxidized, CA 56.098, CB 40.274 ppm	n/a
1:13:CYS:SG	1:23:CYS:SG	oxidized, CB 44.901 ppm	oxidized, CB 43.126 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr30597_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	331		100.0 (chain: 1, length: 33)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 33, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 224
  - ¹³C chemical shifts: 107
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Keywords Cysteine-stabilized helical hairpin, Scorpion, TOXIN, TRPA1, Venom