BMRB: 26066

NMR solution structure of PawS Derived Peptide 20 (PDP-20)

Authors

Franke, B., Jayasena, A.S., Fisher, M.F., Swedberg, J.E., Taylor, N.L., Mylne, J.S., Rosengren, K.

Assembly

PawS Derived Peptide 20 (PDP-20)

Entity

1. PawS Derived Peptide 20 (PDP-20) (polymer, Thiol state: all disulfide bound), 16 monomers, 1670.903 Da Detail

GICFKDPFGS TLCAPD

Formula weight

1670.903 Da

Entity Connection

disulfide 1, covalent 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS13:SG
2	covalent	sing	1:GLY1:N	1:ASP16:C

Source organism

Zinnia haageana

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 80.3 %, Completeness (bb): 80.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	80.3 % (139 of 173)	97.8 % (87 of 89)	55.7 % (39 of 70)	92.9 % (13 of 14)
Backbone	80.4 % (74 of 92)	100.0 % (32 of 32)	63.0 % (29 of 46)	92.9 % (13 of 14)
Sidechain	82.1 % (78 of 95)	96.5 % (55 of 57)	60.5 % (23 of 38)
Aromatic	40.0 % (8 of 20)	80.0 % (8 of 10)	0.0 % (0 of 10)
Methyl	75.0 % (9 of 12)	100.0 % (6 of 6)	50.0 % (3 of 6)

1. PawS Derived Peptide 20 (PDP-20)

GICFKDPFGS TLCAPD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 4

#	Name	Isotope labeling	Type	Concentration
1	PawS Derived Peptide 20 (PDP-20)	natural abundance		1.8 mg/mL
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 283 K, pH 4

#	Name	Isotope labeling	Type	Concentration
4	PawS Derived Peptide 20 (PDP-20)	natural abundance		1.8 mg/mL
5	D2O	natural abundance		100 %

Hide sample codition

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

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Release date

2016-09-01

Citation

Diverse cyclic seed peptides in the Mexican zinnia (Zinnia haageana)
Franke, B., Jayasena, A.S., Fisher, M.F., Swedberg, J.E., Taylor, N.L., Mylne, J.S., Rosengren, K.
Biopolymers (2016), 106, 806-817, PubMed 27352920 , DOI 10.1002/bip.22901 , Abstract

Related entities 1. PawS Derived Peptide 20 (PDP-20), : 1 entities Detail

Experiments performed 5 experiments Detail