BMRB: 18641

NMR solution structure of PawS derived peptide 11 (PDP-11)

Authors

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

Assembly

PawS derived peptide 11 (PDP-11)

Entity

1. PawS derived peptide 11 (PDP-11) (polymer), 16 monomers, 1867.150 Da Detail

GCWPVPYPPF FDCKPN

Formula weight

1867.15 Da

Source organism

Galinsoga quadriradiata

Exptl. method

solution NMR

Refine. method

simulated annealing, Torsion-Angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 81.4 %, Completeness (bb): 80.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C
All	81.4 % (153 of 188)	98.1 % (105 of 107)	59.3 % (48 of 81)
Backbone	80.0 % (60 of 75)	96.4 % (27 of 28)	70.2 % (33 of 47)
Sidechain	84.4 % (108 of 128)	98.7 % (78 of 79)	61.2 % (30 of 49)
Aromatic	48.7 % (19 of 39)	95.0 % (19 of 20)	0.0 % (0 of 19)
Methyl	100.0 % (4 of 4)	100.0 % (2 of 2)	100.0 % (2 of 2)

1. PDP-11

GCWPVPYPPF FDCKPN

Show sample condition

Sample #1

Solvent system 80% H2O/10% D2O/10% DMSO, Pressure 1 atm, Temperature 288 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
1	PDP-11	natural abundance		4 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 288 K, pH 5.0

#	Name	Isotope labeling	Type	Concentration
5	PDP-11	natural abundance		4 mg/mL
6	DMSO	natural abundance		10 %
7	D2O	natural abundance		90 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 2LWQ, 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 11 (PDP-11), : 1 : 6 entities Detail

Experiments performed 7 experiments Detail