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BMRB: 16215

2LY5

Refined solution structure of des-pyro Glu brazzein

Authors

Cornilescu, C.C., Tonelli, M., DeRider, M.L., Markley, J.L., Assadi-Porter, F.M.

Assembly

wt-brazzein

Entity

1. wt-brazzein (polymer, Thiol state: all disulfide bound), 53 monomers, 6370.146 Da Detail

DKCKKVYENY PVSKCQLANQ CNYDCKLDKH ARSGECFYDE KRNLQCICDY CEY

Formula weight

6370.146 Da

Source organism

Pentadiplandra brazzeana

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.8 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.8 % (589 of 635)	92.9 % (313 of 337)	91.2 % (218 of 239)	98.3 % (58 of 59)
Backbone	96.8 % (306 of 316)	97.2 % (103 of 106)	96.2 % (152 of 158)	98.1 % (51 of 52)
Sidechain	89.2 % (331 of 371)	90.9 % (210 of 231)	86.5 % (115 of 133)	85.7 % (6 of 7)
Aromatic	54.8 % (34 of 62)	54.8 % (17 of 31)	54.8 % (17 of 31)
Methyl	100.0 % (28 of 28)	100.0 % (14 of 14)	100.0 % (14 of 14)

1. wt-brazzein

DKCKKVYENY PVSKCQLANQ CNYDCKLDKH ARSGECFYDE KRNLQCICDY CEY

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	wt-brazzein	[U-15N]		1 (±0.1) mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
3	wt-brazzein	[U-15N]		1 (±0.1) mM

LACS Plot; CA

Referencing offset: -0.2 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.2 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.0 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 15 models in PDB: 2LY5, Strand ID: A Detail

Release date

2013-01-27

Citation

Temperature-dependent conformational change affecting Tyr11 and sweetness loops of brazzein
Cornilescu, C.C., Cornilescu, G., Rao, H., Porter, S.F., Tonelli, M., DeRider, M.L., Markley, J.L., Assadi-Porter, F.M.
Proteins (2013), 81, 919-925, PubMed 23349025 , DOI 10.1002/prot.24259 , Abstract

Related entities 1. wt-brazzein, : 1 : 7 : 2 : 5 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

3 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

4 3D HNCA

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

5 3D HNCACB

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

6 3D CBCA(CO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

7 3D HN(CO)CA

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

8 3D HBHA(CO)NH

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

9 3D HCACO

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

10 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

11 3D 1H-15N TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
3	wt-brazzein	[U-15N]		1 (±0.1) mM

12 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
3	wt-brazzein	[U-15N]		1 (±0.1) mM

13 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	wt-brazzein	[U-13C; U-15N]		2 (±0.3) mM

14 IPAP-HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
3	wt-brazzein	[U-15N]		1 (±0.1) mM

15 IPAP-HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State anisotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 310 (±0.1) K, pH 5.2 (±0.05)

#	Name	Isotope labeling	Type	Concentration
2	wt-brazzein	[U-15N]		1 (±0.1) mM

nullKeywords brazzein, NMR, RDC, refined, sweet protein