BMRB: 6066

Structure-Activity Relationships in a Sodium Channels Inhibitor Hainantoxin-Iv

Authors

Li, D.L., Lu, S.Y., Gu, X.C., Liang, S.P.

Assembly

K27A Hainantoxin-IV

Entity

1. K27A Hainantoxin-IV (polymer, Thiol state: all disulfide bound), 36 monomers, 3935.477 Da Detail

ECLGFGKGCN PSNDQCCKSS NLVCSRAHRW CKYEIX

Formula weight

3935.477 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS17:SG
2	disulfide	sing	1:CYS9:SG	1:CYS24:SG
3	disulfide	sing	1:CYS16:SG	1:CYS31:SG

Source organism

Haplopelma hainanum

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 92.8 %, Completeness (bb): 98.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	92.8 % (193 of 208)	92.8 % (193 of 208)
Backbone	98.6 % (71 of 72)	98.6 % (71 of 72)
Sidechain	89.7 % (122 of 136)	89.7 % (122 of 136)
Aromatic	88.2 % (15 of 17)	88.2 % (15 of 17)
Methyl	100.0 % (9 of 9)	100.0 % (9 of 9)

1. K27A Hainantoxin-IV

ECLGFGKGCN PSNDQCCKSS NLVCSRAHRW CKYEIX

Show sample condition

Sample

Pressure 1 atm, Temperature 295 (±1) K, pH 4.00 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	K27A Hainantoxin-IV			5.0 mM
2	deuterium acetic acid BU			20 mM
3	H2O			90 %
4	D2O			10 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 1RYV, Strand ID: A Detail

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Release date

2008-07-15

Citation

Structure--activity relationships of hainantoxin-IV and structure determination of active and inactive sodium channel blockers
Li, D.L., Xiao, Y., Xu, X., Xong, X., Lu, S.Y., Liu, Z., Zhu, Q., Wang, M., Gu, X.C., Liang, S.P.
J. Biol. Chem. (2004), 279, 37734-37740, PubMed 15201273 , DOI 10.1074/jbc.M405765200 , Abstract

Related entities 1. K27A Hainantoxin-IV, : 1 : 6 : 99 entities Detail

Experiments performed 3 experiments Detail