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BMRB: 17643

2MWG

Backbone 1H, 13C, and 15N Chemical Shift Assignments for full-length YtvA from Bacillus subtilis

Authors

Jurk, M., Schmieder, P.

Assembly

YtvA Dimer

Entity

1. YtvA (polymer, Thiol state: not reported), 261 monomers, 29120.07 × 2 Da Detail

GASFQSFGIP GQLEVIKKAL DHVRVGVVIT DPALEDNPIV YVNQGFVQMT GYETEEILGK NCRFLQGKHT DPAEVDNIRT ALQNKEPVTV QIQNYKKDGT MFWNELNIDP MEIEDKTYFV GIQNDITKQK EYEKLLEDSL TEITALSTPI VPIRNGISAL PLVGNLTEER FNSIVCTLTN ILSTSKDDYL IIDLSGLAQV NEQTADQIFK LSHLLKLTGT ELIITGIKPE LAMKMNKLDA NFSSLKTYSN VKDAVKVLPI M

2. FMN (non-polymer), 456.344 × 2 Da

Total weight

59152.83 Da

Max. entity weight

29120.07 Da

Source organism

Bacillus subtilis

Exptl. method

solution NMR

Refine. method

monte-carlo simulated annealing using torsion angle dynamics, simulated annealing.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 50.0 %, Completeness (bb): 83.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	50.0 % (1542 of 3081)	28.9 % (461 of 1597)	69.4 % (835 of 1203)	87.5 % (246 of 281)
Backbone	83.2 % (1284 of 1544)	54.9 % (289 of 526)	97.9 % (752 of 768)	97.2 % (243 of 250)
Sidechain	27.9 % (498 of 1783)	16.1 % (172 of 1071)	47.4 % (323 of 681)	9.7 % (3 of 31)
Aromatic	5.9 % (10 of 170)	5.9 % (5 of 85)	4.8 % (4 of 84)	100.0 % (1 of 1)
Methyl	35.1 % (123 of 350)	34.3 % (60 of 175)	36.0 % (63 of 175)

1. YtvA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	YtvA	[U-13C; U-15N; U-2H]	500 (±0.1) uM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	sodium azide	natural abundance	0.1 %
5	H20	natural abundance	95 %
6	D20	natural abundance	5 %
7	FMN	[U-75% 13C; U-75% 15N; U-75% 2H]	500 uM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Concentration
8	YtvA	[U-15N; U-2H]	500 uM
9	potassium phosphate	natural abundance	20 mM
10	sodium chloride	natural abundance	50 mM
11	sodium azide	natural abundance	0.1 %
12	H20	natural abundance	95 %
13	D20	natural abundance	5 %
14	FMN	[U-75% 15N; U-75% 2H]	500 uM

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: 0.39 ppm, Outliers: 1 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: 0.39 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2MWG, Strand ID: A, B Detail

Release date

2011-08-11

Citation

Blue flickers of hope: secondary structure, dynamics, and putative dimerization interface of the blue-light receptor YtvA from Bacillus subtilis
Jurk, M., Dorn, M., Schmieder, P.
Biochemistry (2011), 50, 8163-8171, PubMed 21851109 , DOI 10.1021/bi200782j , Abstract