BMRB: 26065

NMR solution structure of PawS Derived Peptide 21 (PDP-21)

Authors

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

Assembly

PawS Derived Peptide 21 (PDP-21)

Entity

1. PawS Derived Peptide 21 (PDP-21) (polymer, Thiol state: all disulfide bound), 13 monomers, 1486.671 Da Detail

GRPCYTLQSC FPD

Formula weight

1486.671 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:CYS4:SG	1:CYS10:SG
2	covalent	sing	1:GLY1:N	1:ASP13: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: 83.8 %, Completeness (bb): 82.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	83.8 % (124 of 148)	96.2 % (75 of 78)	63.8 % (37 of 58)	100.0 % (12 of 12)
Backbone	82.4 % (61 of 74)	96.0 % (24 of 25)	68.4 % (26 of 38)	100.0 % (11 of 11)
Sidechain	87.2 % (75 of 86)	96.2 % (51 of 53)	71.9 % (23 of 32)	100.0 % (1 of 1)
Aromatic	44.4 % (8 of 18)	88.9 % (8 of 9)	0.0 % (0 of 9)
Methyl	100.0 % (6 of 6)	100.0 % (3 of 3)	100.0 % (3 of 3)

1. PawS Derived Peptide 21 (PDP-21)

GRPCYTLQSC FPD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 283 K, pH 5.2

#	Name	Isotope labeling	Type	Concentration
1	PawS Derived Peptide 21 (PDP-21)	natural abundance		2 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 5.2

#	Name	Isotope labeling	Type	Concentration
4	PawS Derived Peptide 21 (PDP-21)	natural abundance		2 mg/mL
5	D2O	natural abundance		100 %

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Calculated from 20 models in PDB: 2NDM, 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 21 (PDP-21), : 1 entities Detail

Experiments performed 5 experiments Detail