BMRB: 16963

Structure of the scorpion toxin U1-Liotoxin-Lw1a

Authors

Smith, J., Hill, J., Alewood, P.F., King, G.F.

Assembly

U1-Liotoxin-Lw1a

Entity

1. U1-Liotoxin-Lw1a (polymer, Thiol state: all disulfide bound), 36 monomers, 4178.876 Da Detail

DFPLSKEYES CVRPRKCKPP LKCNKAQICV DPNKGW

Formula weight

4178.876 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	1:CYS23:SG
2	disulfide	sing	1:CYS17:SG	1:CYS29:SG

Source organism

Liocheles waigiensis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 97.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	96.3 % (232 of 241)	96.3 % (232 of 241)
Backbone	97.1 % (66 of 68)	97.1 % (66 of 68)
Sidechain	96.0 % (166 of 173)	96.0 % (166 of 173)
Aromatic	93.3 % (14 of 15)	93.3 % (14 of 15)
Methyl	100.0 % (11 of 11)	100.0 % (11 of 11)

1. U1-Liotoxin-Lw1a

DFPLSKEYES CVRPRKCKPP LKCNKAQICV DPNKGW

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 3.1

#	Name	Isotope labeling	Type	Concentration
1	LITX	natural abundance		0.3 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

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Protein Blocks Logo

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

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Release date

2012-03-28

Citation

Unique scorpion toxin with a putative ancestral fold provides insight into evolution of the inhibitor cystine knot motif
Smith, J.J., Hill, J.M., Little, M.J., Nicholson, G.M., King, G.F., Alewood, P.F.
Proc. Natl. Acad. Sci. U. S. A. (2011), 108, 10478-10483, PubMed 21670253 , DOI 10.1073/pnas.1103501108 , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. U1-Liotoxin-Lw1a, : 1 : 1 : 5 entities Detail

Experiments performed 3 experiments Detail