BMRB: 30354

NMR solution structure of Defensin1 from Centruroides limpidus limpidus

Authors

Escobedo-Gonzalez, F.C., del Rio-Portilla, F., Titaux-Delgado, G.A.

Assembly

Defensin-1

Entity

1. Defensin-1 (polymer, Thiol state: all disulfide bound), 34 monomers, 4009.599 Da Detail

GMACQFWSCN SSCISRGYRQ GKCWGIQYKY CQCY

Formula weight

4009.599 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: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: 100.0 %, Completeness: 88.3 %, Completeness (bb): 95.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	88.3 % (188 of 213)	88.3 % (188 of 213)
Backbone	95.8 % (69 of 72)	95.8 % (69 of 72)
Sidechain	84.4 % (119 of 141)	84.4 % (119 of 141)
Aromatic	72.7 % (24 of 33)	72.7 % (24 of 33)
Methyl	100.0 % (5 of 5)	100.0 % (5 of 5)

1. entity 1

GMACQFWSCN SSCISRGYRQ GKCWGIQYKY CQCY

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 0.83 mM M2D1, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	M2D1	natural abundance		0.83 (±0.02) mM

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Protein Blocks Logo

Calculated from 20 models in PDB: 6BB6, Strand ID: A Detail

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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 : 1 : 2 : 15 entities Detail

Experiments performed 4 experiments Detail