BMRB: 15992

Solution structure of Vm24 synthetic scorpion toxin.

Authors

DEL RIO-PORTILLA, F., HERNANDEZ-LOPEZ, R., POSSANI-POSTAY, L., GURROLA, G.

Assembly

Vm24

Entity

1. Vm24 (polymer, Thiol state: all disulfide bound), 36 monomers, 3872.633 Da Detail

AAAISCVGSP ECPPKCRAQG CKNGKCMNRK CKCYYC

Formula weight

3872.633 Da

Entity Connection

disulfide 4 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS26:SG
2	disulfide	sing	1:CYS12:SG	1:CYS31:SG
3	disulfide	sing	1:CYS16:SG	1:CYS33:SG
4	disulfide	sing	1:CYS21:SG	1:CYS36:SG

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.2 %, Completeness: 95.3 %, Completeness (bb): 94.4 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	95.3 % (201 of 211)	95.3 % (201 of 211)
Backbone	94.4 % (68 of 72)	94.4 % (68 of 72)
Sidechain	95.7 % (133 of 139)	95.7 % (133 of 139)
Aromatic	100.0 % (8 of 8)	100.0 % (8 of 8)
Methyl	87.5 % (7 of 8)	87.5 % (7 of 8)

1. Vm24

AAAISCVGSP ECPPKCRAQG CKNGKCMNRK CKCYYC

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 297 K, pH 6.5, Details 0.3 mL 5 mg

#	Name	Isotope labeling	Type	Concentration
1	Vm24	natural abundance		1.2 (±0.2) mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 297 K, pH 6.5, Details 0.7 mL, 5 mg, Cold probe.

#	Name	Isotope labeling	Type	Concentration
4	Vm24	natural abundance		1.2 (±0.2) mM
5	H2O	natural abundance		95 %
6	D2O	natural abundance		5 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2K9O, Strand ID: A Detail

---

Release date

2012-07-18

Citation

Solution structure of Vm24 synthetic scorpion toxin
Hernandez-Lopez, R.A., del Rio-Portilla, F., Possani, L.D., Gurrola-Briones, G., Rodriguez de la Vega, R.C.

Related entities 1. Vm24, : 1 : 1 : 135 entities Detail

Experiments performed 6 experiments Detail