BMRB: 18643

NMR solution structure of PawS Derived Peptide 4 (PDP-4)

Authors

Elliott, A.G., Mylne, J.S., Rosengren, J.

Assembly

PawS Derived Peptide 4 (PDP-4)

Entity

1. PawS Derived Peptide 4 (PDP-4) (polymer), 12 monomers, 1365.540 Da Detail

GSCFGAFCFR RD

Formula weight

1365.54 Da

Source organism

Iostephane heterophylla

Exptl. method

solution NMR

Refine. method

simulated annealing, Torsion-Angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 66.7 %, Completeness (bb): 78.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	66.7 % (82 of 123)	84.3 % (59 of 70)	43.4 % (23 of 53)
Backbone	78.3 % (47 of 60)	100.0 % (26 of 26)	61.8 % (21 of 34)
Sidechain	60.3 % (44 of 73)	75.0 % (33 of 44)	37.9 % (11 of 29)
Aromatic	20.0 % (6 of 30)	40.0 % (6 of 15)	0.0 % (0 of 15)
Methyl	100.0 % (2 of 2)	100.0 % (1 of 1)	100.0 % (1 of 1)

1. PDP-4

GSCFGAFCFR RD

Show sample condition

Sample #1

Solvent system 80% H2O/10% D2O/10% DMSO, Pressure 1 atm, Temperature 280 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	PDP-4	natural abundance		5 mg/mL
2	DMSO	natural abundance		10 %
3	H2O	natural abundance		80 %
4	D2O	natural abundance		10 %

Sample #2

Solvent system 90% D2O / 10% DMSO, Pressure 1 atm, Temperature 280 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
5	PDP-4	natural abundance		5 mg/mL
6	DMSO	natural abundance		10 %
7	D2O	natural abundance		90 %

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

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Release date

2013-08-14

Citation

Evolutionary origins of a bioactive peptide buried within Preproalbumin
Elliott, A.G., Delay, C., Liu, H., Phua, Z., Rosengren, K., Benfield, A.H., Panero, J.L., Colgrave, M.L., Jayasena, A.S., Dunse, K.M., Anderson, M.A., Schilling, E.E., Ortiz-Barrientos, D., Craik, D.J., Mylne, J.S.
Plant Cell (2014), 26, 981-995, PubMed 24681618 , DOI 10.1105/tpc.114.123620 , Abstract

Related entities 1. PawS Derived Peptide 4 (PDP-4), : 1 entities Detail

Experiments performed 7 experiments Detail