BMRB: 16745

1H and 13C Chemical Shift Assignments for Antimicrobial Peptide Sm-AMP-1.1a

Authors

Bozin, T.N., Bocharov, E.V., Sobol, V.A., Vassilevski, A.A., Arseniev, A.A.

Assembly

Sm-AMP-1.1a monomer

Entity

1. Sm-AMP-1.1a monomer (polymer, Thiol state: all disulfide bound), 35 monomers, 3468.841 Da Detail

SGPNGQCGPG WGGCRGGLCC SQYGYCGSGP KYCAH

Formula weight

3468.841 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:CYS20:SG
2	disulfide	sing	1:CYS14:SG	1:CYS26:SG
3	disulfide	sing	1:CYS19:SG	1:CYS33:SG

Source organism

Stellaria media

Exptl. method

solution NMR

Refine. method

TORSION ANGLE DYNAMICS, TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.1 %, Completeness (bb): 77.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	87.1 % (270 of 310)	99.4 % (180 of 181)	69.8 % (90 of 129)
Backbone	77.9 % (134 of 172)	98.7 % (77 of 78)	60.6 % (57 of 94)
Sidechain	98.8 % (160 of 162)	100.0 % (103 of 103)	96.6 % (57 of 59)
Aromatic	94.9 % (37 of 39)	100.0 % (20 of 20)	89.5 % (17 of 19)
Methyl	100.0 % (6 of 6)	100.0 % (3 of 3)	100.0 % (3 of 3)

1. Sm-AMP-1.1a

SGPNGQCGPG WGGCRGGLCC SQYGYCGSGP KYCAH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Sm-AMP-1.1a	natural abundance		0.5 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %
4	NaCl	natural abundance		10 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
5	Sm-AMP-1.1a	natural abundance		0.5 mM
6	D2O	natural abundance		100 %
7	NaCl	natural abundance		10 mM

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Protein Blocks Logo

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

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Coupling constant

60 J values in 1 lists
Field strength (¹H) 700 MHz, Pressure 1 atm, Temperature 303 K, pH 4.5 Detail

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Pressure 1 atm, Temperature 303 K, pH 4.5

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

List #1 coupling_constant_list_1, Field strength (¹H) 700 MHz

Release date

2012-08-02

Citation

Common chickweed (Stellaria media) antifungal peptides with chitin-binding domain provide unique plant defense strategy
Vassilevski, A., Musolyamov, A., Nikonorova, A., Finkina, E., Slavokhotova, A., Shagin, D., Bozin, T., Bocharov, E., Ovchinnikova, T., Arseniev, A., Babakov, A., Lukyanov, S., Grishin, E., Egorov, T.
J. Biol. Chem.

Related entities 1. Sm-AMP-1.1a monomer, : 1 : 68 entities Detail

Experiments performed 7 experiments Detail