BMRB: 5033

NMR Solution Structures of the Antifungal Heliomicin

Authors

Lamberty, M., Caille, A., Landon, C., Tassin-Moindrot, S., Hetru, C., Bulet, P., Vovelle, F.

Assembly

Defensin Heliomicin

Entity

1. Defensin Heliomicin (polymer, Thiol state: all disulfide bound), 44 monomers, 4790.317 Da Detail

DKLIGSCVWG AVNYTSDCNG ECKRRGYKGG HCGSFANVNC WCET

Formula weight

4790.317 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS32:SG
2	disulfide	sing	1:CYS18:SG	1:CYS40:SG
3	disulfide	sing	1:CYS22:SG	1:CYS42:SG

Source organism

Heliothis virescens

Exptl. method

NMR

Refine. method

torsion angle dynamics (DYANA)

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 98.8 %, Completeness (bb): 97.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	98.8 % (240 of 243)	98.8 % (240 of 243)
Backbone	97.9 % (93 of 95)	97.9 % (93 of 95)
Sidechain	99.3 % (147 of 148)	99.3 % (147 of 148)
Aromatic	96.3 % (26 of 27)	96.3 % (26 of 27)
Methyl	100.0 % (14 of 14)	100.0 % (14 of 14)

1. DEFENSIN HELIOMICIN

DKLIGSCVWG AVNYTSDCNG ECKRRGYKGG HCGSFANVNC WCET

Show sample condition

Sample

Pressure 1 atm, Temperature 293 K, pH 4.3

#	Name	Isotope labeling	Type	Concentration
1	DEFENSIN HELIOMICIN			4 mM
2	sodium acetate buffer			40 mM
3	H2O			90 %
4	D2O			10 %

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Calculated from 18 models in PDB: 1I2U, Strand ID: A Detail

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Coupling constant

34 J values in 1 lists
Pressure 1 atm, Temperature 293 K, pH 4.3 Detail

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Pressure 1 atm, Temperature 293 K, pH 4.3

Experiment name 2D 1H DQF-COSY, 2D 1H TOCSY, 2D 1H TQF-COSY, 2D 1H NOESY

List #1 J-values_set_1

Release date

2001-05-28

Citation

Solution structures of the antifungal heliomicin and a selected variant with both antibacterial and antifungal activities
Lamberty, M., Caille, A., Landon, C., Tassin-Moindrot, S., Hetru, C., Bulet, P., Vovelle, F.
Biochemistry (2001), 40, 11995-12003, PubMed 11580275 , DOI: , Abstract

Related entities 1. Defensin Heliomicin, : 1 : 1 : 3 : 19 entities Detail

Experiments performed 4 experiments Detail