BMRB: 30351

NMR solution structure of Defensin1 from Centruroides limpidus limpidus

Authors

Escobedo-Gonzalez, F.C., del Rio-Portilla, F., Franco-Bodek, D.

Assembly

Defensin-1

Entity

1. Defensin-1 (polymer, Thiol state: all disulfide bound), 34 monomers, 3965.438 Da Detail

GSACQFWSCN SSCISRGYRQ GYCWGIQYKY CQCQ

Formula weight

3965.438 Da

Entity Connection

disulfide 3 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS4:SG	1:CYS23:SG
2	disulfide	sing	1:CYS9:SG	1:CYS31:SG
3	disulfide	sing	1:CYS13:SG	1:CYS33:SG

Source organism

Centruroides limpidus

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 83.2 %, Completeness (bb): 93.1 % Detail

Download

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

Polymer type: polypeptide(L)

	Total	1H
All	83.2 % (173 of 208)	83.2 % (173 of 208)
Backbone	93.1 % (67 of 72)	93.1 % (67 of 72)
Sidechain	77.9 % (106 of 136)	77.9 % (106 of 136)
Aromatic	69.7 % (23 of 33)	69.7 % (23 of 33)
Methyl	60.0 % (3 of 5)	60.0 % (3 of 5)

1. entity 1

GSACQFWSCN SSCISRGYRQ GYCWGIQYKY CQCQ

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.5, Details 0.25 mM Def1, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	Def1	natural abundance		0.25 (±0.02) mM

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 6B9W, Strand ID: A Detail

---

Release date

2017-10-24

Citation

From good defence into mortal risk: NMR studyand conversion of a defensin into a neurotoxin
Escobedo-Gonzalez, F.C., del Rio-Portilla, F., Franco-Bodek, D., Rodriguez-de la Vega, R., Carrillo-Flores, E., Rodriguez-Solano, L.A., Flores-Solis, D., Garaza-Garcia, A., Titaux-Delgado, G.A., Lopez-Vera, E., Cano-Sanchez, P.

Related entities 1. Defensin-1, : 1 : 3 : 3 entities Detail

Experiments performed 6 experiments Detail