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BMRB: 17723

2LEQ

Chemical Shift Assignment and Solution Structure of ChR145 from Cytophaga Hutchinsonii. Northeast Structural Genomics Consortium Target ChR145.

Authors

Lee, H., Lee, D., Ciccosanti, C., Mao, L.R., Nair, R., Rost, B., Acton, T.B., Xiao, R., Everett, J.K., Montelione, G.T., Prestegard, J.H.

Assembly

ChR145

Entity

1. ChR145 (polymer, Thiol state: all free), 146 monomers, 16794.92 Da Detail

MEIKLIAQVK TVINAPIEKV WEALVNPEII KEYMFGTTVV SDWKEGSQIV WKGEWKGKAY EDKGTILQFN ERSILQYSHF SPLTGKPDLP ENYHVVTITL TALKKGVEVE LTQDNNETEK EQKHSEDNWN TMLEGLKKFL ENKVSA

Formula weight

16794.92 Da

Source organism

Cytophaga hutchinsonii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, RDCs

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 87.5 %, Completeness (bb): 98.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.5 % (1559 of 1781)	84.8 % (788 of 929)	89.6 % (619 of 691)	94.4 % (152 of 161)
Backbone	98.7 % (855 of 866)	98.0 % (289 of 295)	99.1 % (426 of 430)	99.3 % (140 of 141)
Sidechain	79.9 % (841 of 1053)	78.7 % (499 of 634)	82.7 % (330 of 399)	60.0 % (12 of 20)
Aromatic	52.1 % (75 of 144)	59.7 % (43 of 72)	40.3 % (27 of 67)	100.0 % (5 of 5)
Methyl	86.5 % (147 of 170)	88.2 % (75 of 85)	84.7 % (72 of 85)

1. ChR145

MEIKLIAQVK TVINAPIEKV WEALVNPEII KEYMFGTTVV SDWKEGSQIV WKGEWKGKAY EDKGTILQFN ERSILQYSHF SPLTGKPDLP ENYHVVTITL TALKKGVEVE LTQDNNETEK EQKHSEDNWN TMLEGLKKFL ENKVSA

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Solution sample for 3D experiments

#	Name	Isotope labeling	Concentration
1	ChR145	[U-100% 13C; U-100% 15N]	0.85 mM
2	sodium azide	natural abundance	0.2 %
3	DTT	natural abundance	5 mM
4	CaCl2	natural abundance	5 mM
5	sodium chloride	natural abundance	200 mM
6	MES	natural abundance	20 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Solution sample Phage RDC

#	Name	Isotope labeling	Concentration
9	ChR145	[U-100% 13C; U-100% 15N]	0.57 mM
10	sodium azide	natural abundance	0.2 %
11	DTT	natural abundance	5 mM
12	CaCl2	natural abundance	5 mM
13	sodium chloride	natural abundance	200 mM
14	MES	natural abundance	20 mM
15	Pf1 phage	natural abundance	12.5 mg
16	H2O	natural abundance	95 %
17	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Solution sample Peg RDC

#	Name	Isotope labeling	Concentration
18	ChR145	[U-100% 13C; U-100% 15N]	0.57 mM
19	sodium azide	natural abundance	0.2 %
20	DTT	natural abundance	5 mM
21	CaCl2	natural abundance	5 mM
22	sodium chloride	natural abundance	200 mM
23	MES	natural abundance	20 mM
24	C12E5/Hexanol	natural abundance	4 %
25	H2O	natural abundance	95 %
26	D2O	natural abundance	5 %

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Solution sample for Neutral Stretch Gel RDC

#	Name	Isotope labeling	Concentration
27	ChR145	[U-100% 13C; U-100% 15N]	0.85 mM
28	sodium azide	natural abundance	0.2 %
29	DTT	natural abundance	5 mM
30	CaCl2	natural abundance	5 mM
31	sodium chloride	natural abundance	200 mM
32	MES	natural abundance	20 mM
33	Polyacrylamide	natural abundance	5 %
34	H2O	natural abundance	95 %
35	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.17 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.05 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

RDC

328 RDC values in 5 lists
Field strength (¹H) 600 MHz, Pressure 1 atm, Temperature 298 K, pH 6.5 Detail

Release date

2011-08-15

Citation

Solution Structure of ChR145
Lee, H., Montelione, G., Prestegard, J.
Not known

Related entities 1. ChR145, : 1 : 4 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC