BMRB: 15174

1H, alpha-13C Chemical Shift Assignments for [L-Phe44]iota-RXIA

Authors

Buczek, O., Wei, D., Babon, J.J., Yang, X., Fiedler, B., Yoshikami, D., Olivera, B.M., Bulaj, G., Norton, R.S.

Assembly

[L-Phe44]iota-RXIA (r11a)

Entity

1. [L-Phe44]iota-RXIA (r11a) (polymer, Thiol state: all disulfide bound), 46 monomers, 4983.634 Da Detail

GXSFCKADEK XCEYHADCCN CCLSGICAXS TNWILPGCST SSFFKI

Formula weight

4983.634 Da

Entity Connection

disulfide 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS19:SG
2	disulfide	sing	1:CYS12:SG	1:CYS22:SG
3	disulfide	sing	1:CYS18:SG	1:CYS27:SG
4	disulfide	sing	1:CYS21:SG	1:CYS38:SG

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 93.5 %, Completeness: 66.6 %, Completeness (bb): 65.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	66.6 % (279 of 419)	94.1 % (223 of 237)	30.8 % (56 of 182)
Backbone	65.0 % (139 of 214)	96.6 % (85 of 88)	42.9 % (54 of 126)
Sidechain	60.0 % (147 of 245)	92.6 % (138 of 149)	9.4 % (9 of 96)
Aromatic	43.4 % (23 of 53)	81.5 % (22 of 27)	3.8 % (1 of 26)
Methyl	50.0 % (15 of 30)	100.0 % (15 of 15)	0.0 % (0 of 15)

1. [L-Phe44]iota-RXIA (r11a)

GXSFCKADEK XCEYHADCCN CCLSGICAXS TNWILPGCST SSFFKI

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 5.9

#	Name	Isotope labeling	Type	Concentration
1	[L-Phe44]iota-RXIA (r11a)	natural abundance		1.1 mM
2	H2O			95 %
3	D2O			5 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 2P4L, Strand ID: A Detail

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Coupling constant

33 J values in 1 lists
Pressure 1 atm, Temperature 298 K, pH 5.9 Detail

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Pressure 1 atm, Temperature 298 K, pH 5.9

Experiment name 2D DQF-COSY

List #1 coupling_constant_list

Release date

2007-10-23

Citation

Structure and sodium channel activity of an excitatory I1-superfamily conotoxin
Buczek, O., Wei, D., Babon, J.J., Yang, X., Fiedler, B., Chen, P., Yoshikami, D., Olivera, B.M., Bulaj, G., Norton, R.S.
Biochemistry (2007), 46, 9929-9940, PubMed 17696362 , DOI 10.1021/bi700797f , Abstract

Related entities 1. [L-Phe44]iota-RXIA (r11a), : 1 : 4 : 18 entities Detail

Experiments performed 4 experiments Detail