BMRB: 4988

Three Dimensional Solution Structure of Huwentoxin-II BY 2D 1H-NMR

Authors

Shu, Q., Lu, S., Gu, X., Liang, S.

Assembly

HUWENTOXIN-II

Entity

1. HUWENTOXIN-II (polymer, Thiol state: all disulfide bound), 37 monomers, 4290.164 Da Detail

LFECSFSCEI EKEGDKPCKK KKCKGGWKCK FNMCVKV

Formula weight

4290.164 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS18:SG
2	disulfide	sing	1:CYS8:SG	1:CYS29:SG
3	disulfide	sing	1:CYS23:SG	1:CYS34:SG

Source organism

Haplopelma schmidti

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 99.6 %, Completeness (bb): 98.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	99.6 % (249 of 250)	99.6 % (249 of 250)
Backbone	98.7 % (75 of 76)	98.7 % (75 of 76)
Sidechain	100.0 % (174 of 174)	100.0 % (174 of 174)
Aromatic	100.0 % (21 of 21)	100.0 % (21 of 21)
Methyl	100.0 % (8 of 8)	100.0 % (8 of 8)

1. Huwentoxin-II

LFECSFSCEI EKEGDKPCKK KKCKGGWKCK FNMCVKV

Show sample condition

Sample

Pressure 1 atm, Temperature 300 (±1) K, pH 5.4 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Huwentoxin-II			4 mM
2	phosphate buffer			20 mM
3	H2O			90 %
4	D2O			10 %

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Calculated from 10 models in PDB: 1I25, Strand ID: A Detail

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Release date

2001-04-16

Citation 1

Three-dimensional Solution Structure Determination of Huwentoxin-II by 2D 1H-NMR
Shu, Q., Lu, S.Y., Gu, X.C., Liang, S.P.

Show more 3 citaions

Citation 2

Sequence-specific Assignment of (1)H-NMR Resonance and Determination of the Secondary Structure of HWTX-II
Shu, Lu, Gu, Liang
Sheng Wu Hua Xue Yu Sheng Wu Wu Li Xue Bao. (Shanghai). (2001), 33, 65-70, PubMed 12053191 , Abstract

Citation 3

Assignment of the disulfide bonds of huwentoxin-II by Edman degradation sequencing and stepwise thiol modification
Shu, Q., Huang, R., Liang, S.
Eur. J. Biochem. (2001), 268, 2301-2307, PubMed 11298747 , DOI: , Abstract

Citation 4

Purification and characterization of huwentoxin-II, a neurotoxic peptide from the venom of the Chinese bird spider Selenocosmia huwena
Shu, Q., Liang, S.P.
J. Pept. Res. (1999), 53, 486-491, PubMed 10424342 , DOI: , Abstract

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Entries sharing articles Swiss-Prot: 2 entries Detail

Related entities 1. HUWENTOXIN-II, : 1 : 2 : 2 : 79 entities Detail

Experiments performed 4 experiments Detail