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BMRB: 15350

2JS1

Northeast Structural Genomics Target SR478

Authors

Macnaughtan, M.A., Weldeghiorghis, T., Wang, X., Bansal, S., Tian, F., Wang, D., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Prestegard, J.H.

Assembly

sr478 dimer

Entity

1. sr478 dimer (polymer, Thiol state: not present), 80 monomers, 9536.671 × 2 Da Detail

MSELFSVPYF IENLKQHIEM NQSEDKIHAM NSYYRSVVST LVQDQLTKNA VVLKRIQHLD EAYNKVKRGE SKLEHHHHHH

Total weight

19073.342 Da

Max. entity weight

9536.671 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

RDCs, assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 95.0 %, Completeness: 66.8 %, Completeness (bb): 75.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	66.8 % (655 of 981)	65.1 % (334 of 513)	65.7 % (249 of 379)	80.9 % (72 of 89)
Backbone	75.9 % (363 of 478)	86.9 % (139 of 160)	63.6 % (152 of 239)	91.1 % (72 of 79)
Sidechain	62.9 % (366 of 582)	55.2 % (195 of 353)	78.1 % (171 of 219)	0.0 % (0 of 10)
Aromatic	25.0 % (22 of 88)	25.0 % (11 of 44)	25.0 % (11 of 44)
Methyl	92.7 % (76 of 82)	90.2 % (37 of 41)	95.1 % (39 of 41)

1. SR478

MSELFSVPYF IENLKQHIEM NQSEDKIHAM NSYYRSVVST LVQDQLTKNA VVLKRIQHLD EAYNKVKRGE SKLEHHHHHH

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	SR478	[U-13C; U-15N]	0.9 mM
2	Tris	natural abundance	10 mM
3	Sodium chloride	natural abundance	100 mM
4	Sodium azide	natural abundance	0.02 %

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SR478	[U-13C; U-15N]	0.5 mM
6	SR478	natural abundance	0.5 mM
7	Tris	natural abundance	10 mM
8	Sodium chloride	natural abundance	100 mM
9	Sodium azide	natural abundance	0.02 %

Sample #3

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
10	SR478	[U-5% 13C; U-15N]	0.9 mM
11	Tris	natural abundance	10 mM
12	Sodium chloride	natural abundance	100 mM
13	Sodium azide	natural abundance	0.02 %

Sample #4

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
14	SR478	[U-5% 13C; U-15N]	0.6 mM
15	Tris	natural abundance	10 mM
16	Sodium chloride	natural abundance	100 mM
17	Sodium azide	natural abundance	0.02 %
18	Pentaethyleneglycol monodecyl ether/hexanol	natural abundance	4 %

LACS Plot; CA

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.09 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JS1, Strand ID: A, B Detail

RDC

52 RDC values in 1 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2007-06-28

Citation

NMR structure of lipoprotein YxeF from Bacillus subtilis reveals a calycin fold and distant homology with the lipocalin Blc from Escherichia coli
Macnaughtan, M.A., Weldeghiorghis, T., Wang, X., Bansal, S., Tian, F., Wang, D., Janjua, H., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Prestegard, J.H.
PLoS One (2012), 7, e37404-e37404, PubMed 22693626 , DOI 10.1371/journal.pone.0037404 , Abstract

Related entities 1. sr478 dimer, : 1 : 2 : 3 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC