BMRB: 36041

Highly disulfide-constrained antifeedant jasmintides from Jasminum sambac flowers

Authors

Kumari, G., Wong, K.H., Serra, A., Shin, J., Yoon, H.S., Sze, S.K., James, P.T.

Assembly

jasmintide js3

Entity

1. jasmintide js3 (polymer, Thiol state: all disulfide bound), 28 monomers, 3224.757 Da Detail

QLCLLCQTSR DCNYIIWTVC RDGCCNIS

Formula weight

3224.757 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS24:SG
2	disulfide	sing	1:CYS6:SG	1:CYS20:SG
3	disulfide	sing	1:CYS12:SG	1:CYS25:SG

Source organism

Jasminum sambac

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 100.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	96.3 % (156 of 162)	96.3 % (156 of 162)
Backbone	100.0 % (57 of 57)	100.0 % (57 of 57)
Sidechain	94.3 % (99 of 105)	94.3 % (99 of 105)
Aromatic	90.0 % (9 of 10)	90.0 % (9 of 10)
Methyl	93.8 % (15 of 16)	93.8 % (15 of 16)

1. entity 1

QLCLLCQTSR DCNYIIWTVC RDGCCNIS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.7 mM Not labled jasmintide js3, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	jasmintide js3	natural abundance		0.7 mM
2	H2O	natural abundance	solvent	90 %
3	D2O	[U-2H]	solvent	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7, Details 0.7 mM Not labeled jasmintide js3, 100% D2O

#	Name	Isotope labeling	Type	Concentration
4	jasmintide js3	natural abundance		0.7 mM
5	D2O	[U-2H]	solvent	100 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 5WXE, Strand ID: A Detail

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Release date

2017-03-27

Citation

Molecular diversity and function of jasmintides from Jasminum sambac
Kumari, G., Wong, K.H., Serra, A., Shin, J., Yoon, H.S., Sze, S.K., James, P.T.
BMC Plant Biol. (2018), 18, 144-144, PubMed 29996766 , DOI 10.1186/s12870-018-1361-y , Abstract

Related entities 1. jasmintide js3, : 1 : 5 entities Detail

Experiments performed 5 experiments Detail