BMRB: 25168

flpp3sol BMRB submission

Authors

Zook, J.J.D.Z., Mo, G.G.M., Craciunescu, F.F.C., Sisco, N.N.S., Hansen, D.D.H., Baravati, B.B.B., Van Horn, W.W.V.H., Cherry, B.B.C., Fromme, P.P.F.

Assembly

flpp3Sol 2

Entity

1. flpp3Sol 2 (polymer, Thiol state: not present), 119 monomers, 13259.33 Da Detail

MDKGTQYKDG YYITTLNYNF NTVYNATLQA IQNGQTFDYK SNPYDISVNK NNGTDAEIVS ASDSDSTDSL QVAMKKLPNN ATRISIKYGS QGNSIRSSAL IGIIEGNIRY ANTHHHHHH

Formula weight

13259.33 Da

Source organism

Francisella tularensis subsp. tularensis SCHU S4

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 96.6 %, Completeness: 79.2 %, Completeness (bb): 93.0 % Detail

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• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	79.2 % (1067 of 1348)	76.4 % (531 of 695)	82.2 % (424 of 516)	81.8 % (112 of 137)
Backbone	93.0 % (660 of 710)	91.8 % (224 of 244)	92.8 % (324 of 349)	95.7 % (112 of 117)
Sidechain	68.0 % (509 of 749)	68.1 % (307 of 451)	72.7 % (202 of 278)	0.0 % (0 of 20)
Aromatic	0.0 % (0 of 116)	0.0 % (0 of 58)	0.0 % (0 of 58)
Methyl	96.6 % (112 of 116)	96.6 % (56 of 58)	96.6 % (56 of 58)

1. flpp3Sol 2

MDKGTQYKDG YYITTLNYNF NTVYNATLQA IQNGQTFDYK SNPYDISVNK NNGTDAEIVS ASDSDSTDSL QVAMKKLPNN ATRISIKYGS QGNSIRSSAL IGIIEGNIRY ANTHHHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 298.150 K, pH 6.800, Details Used for NHSQC

#	Name	Isotope labeling	Type	Concentration
1	flpp3Sol_2	[U-99% 13C; U-99% 15N]		0.8 mM
2	H2O	natural abundance		95 %
3	D2O	natural abundance		5 %
4	Sodium Chloride	natural abundance		90 mM
5	Sodium Phosphate	natural abundance		20 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1.000 atm, Temperature 298.150 K, pH 6.800, Details Used for 3D experiments

#	Name	Isotope labeling	Type	Concentration
6	flpp3Sol_2	[U-99% 13C; U-99% 15N]		0.8 mM
7	H2O	natural abundance		95 %
8	D2O	natural abundance		5 %
9	Sodium Chloride	natural abundance		90 mM
10	Sodium Phosphate	natural abundance		20 mM

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LACS Plot; CA

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.22 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.19 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	indirect	1.0
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2MU4, Strand ID: A Detail

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Release date

2015-10-22

Citation

NMR Structure of Francisella tularensis Virulence Determinant Reveals Structural Homology to Bet v1 Allergen Proteins
Zook, J.J.D.Z., Mo, G.G.M., Craciunescu, F.F.C., Sisco, N.N.S., Hansen, D.D.H., Baravati, B.B.B., Cherry, B.B.C., Van Horn, W.W.V.H., Fromme, P.P.F.
Structure (2015), 23, 1116-1122, PubMed 26004443 , DOI 10.1016/j.str.2015.03.025 , Abstract

Related entities 1. flpp3Sol 2, : 1 : 1 entities Detail

Experiments performed 11 experiments Detail