BMRB: 4541

Solution Structure of the Potassium Channel Scorpion Toxin HsTX1

Authors

Savarin, P., Romi-Lebrun, R., Zinn-Justin, S., Lebrun, B., Nakajima, T., Gilquin, B., Menez, A.

Assembly

Potassium Channel Scorpion Toxin HsTX1

Entity

1. Potassium Channel Scorpion Toxin HsTX1 (polymer, Thiol state: all disulfide bound), 35 monomers, 3825.519 Da Detail

ASCRTPKDCA DPCRKETGCP YGKCMNRKCK CNRCX

Formula weight

3825.519 Da

Entity Connection

disulfide 4 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS24:SG
2	disulfide	sing	1:CYS9:SG	1:CYS29:SG
3	disulfide	sing	1:CYS13:SG	1:CYS31:SG
4	disulfide	sing	1:CYS19:SG	1:CYS34:SG

Source organism

Scorpionidae

Exptl. method

NMR

Refine. method

A COMPLETLY EXTENDED CONFORMATION WAS USED AS THE STARTING STRUCTURE. 25 ITERATIONS WERE MADE. 500 STRUCTURES WERE CALCULATED. RESTRAINED MOLECULAR DYNAMICS AT 600K A SLOW COOLING. MINIMIZATION WERE MADE WITH AN ELECTROSTATIC TERM TOPALLH22X.PRO AND PARALLH22X.PRO

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 96.1 %, Completeness (bb): 94.0 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H
All	96.1 % (196 of 204)	96.1 % (196 of 204)
Backbone	94.0 % (63 of 67)	94.0 % (63 of 67)
Sidechain	97.1 % (133 of 137)	97.1 % (133 of 137)
Aromatic	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	100.0 % (4 of 4)	100.0 % (4 of 4)

1. HsTX1

ASCRTPKDCA DPCRKETGCP YGKCMNRKCK CNRCX

Show sample condition

Sample

Pressure 1 atm, Temperature 308 (±0.5) K, pH 4.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	HsTX1			3 mM

Hide sample codition

Protein Blocks Logo

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

---

Release date

2008-07-16

Citation

Structural and functional consequences of the presence of a fourth disulfide bridge in the scorpion short toxins: solution structure of the potassium channel inhibitor HsTX1
Savarin, P., Romi-Lebrun, R., Zinn-Justin, S., Lebrun, B., Nakajima, T., Gilquin, B., Menez, A.
Protein Sci. (1999), 8, 2672-2685, PubMed 10631983 , DOI 10.1110/ps.8.12.2672 , Abstract

Related entities 1. Potassium Channel Scorpion Toxin HsTX1, : 1 : 2 : 128 entities Detail

Experiments performed 1 experiments Detail