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Found 1 Document (0.649 seconds)

BMRB: 17695

3IGQ

Backbone Chemical Shift Assignments of the Extracellular domain of GLIC, a prokaryotic nAChR homologue

Authors

Chasapis, C.T., Argyriou, A.I., Corringer, P., Bentrop, D.T., Spyroulias, G.A.

Assembly

Extracellular domain of GLIC

Entity

1. Extracellular domain of GLIC (polymer, Thiol state: all free), 195 monomers, 22079.71 Da Detail

MQDMVSPPPP IADEPLTVNT GIYLIECYSL DDKAETFKVN AFLSLSWKDR RLAFDPVRSG VRVKTYEPEA IWIPEIRFVN VENARDADVV DISVSPDGTV QYLERFSARV LSPLDGRRTE SDSQTLHIYL IVRSVDTRNI VLAVDLEKVG KNDDVFLTGW DIESFTAVVK PANFALEDRL ESKLDYQLRI SRQGG

Formula weight

22079.71 Da

Source organism

Gloeobacter violaceus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 76.4 %, Completeness: 34.8 %, Completeness (bb): 60.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	34.8 % (792 of 2274)	20.8 % (245 of 1177)	44.4 % (399 of 898)	74.4 % (148 of 199)
Backbone	60.5 % (695 of 1148)	44.4 % (172 of 387)	65.0 % (375 of 577)	80.4 % (148 of 184)
Sidechain	16.7 % (219 of 1313)	9.2 % (73 of 790)	28.7 % (146 of 508)	0.0 % (0 of 15)
Aromatic	3.0 % (5 of 168)	2.4 % (2 of 84)	3.7 % (3 of 81)	0.0 % (0 of 3)
Methyl	18.1 % (45 of 248)	16.1 % (20 of 124)	20.2 % (25 of 124)

1. GLIC ECD

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GLIC ECD	[U-15N]-Leu	0.6 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	Pi	natural abundance	50 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2, Details Specific labeling with [U-15N]-Lys/Phe/Tyr/Ala/Val/Ile/Asp/Glu and reverse labeling 15N-GLIC[U-14N]-Arg/His/Asn

#	Name	Isotope labeling	Concentration
13	GLIC ECD	[U-15N]	0.3 ~ 0.5 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %
16	Pi	natural abundance	50 mM

LACS Plot; CA

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

Referencing offset: 0.83 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.83 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.65 ppm, Outliers: 3 Detail

Release date

2012-01-03

Citation

Unravelling the conformational plasticity of the extracellular domain of a prokaryotic nAChR homologue in solution by NMR
Chasapis, C.T., Argyriou, A.I., Corringer, P., Bentrop, D.T., Spyroulias, G.A.
Biochemistry (2011), 50, 9681-9683, PubMed 22007668 , DOI 10.1021/bi201223u , Abstract

Related entities 1. Extracellular domain of GLIC, : 1 : 81 : 24 entities Detail

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

2 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

3 3D HNCA

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

4 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

6 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

7 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

9 3D HNCA

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

10 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

11 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

12 3D C(CO)NH

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

13 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
5	GLIC ECD	[U-100% 13C; U-100% 15N; U-80% 2H]	0.6 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %
8	Pi	natural abundance	50 mM

14 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
9	GLIC ECD	[U-15N]-Leu	0.6 mM
10	H2O	natural abundance	90 %
11	D2O	natural abundance	10 %
12	Pi	natural abundance	50 mM

15 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2, Details Specific labeling with [U-15N]-Lys/Phe/Tyr/Ala/Val/Ile/Asp/Glu and reverse labeling 15N-GLIC[U-14N]-Arg/His/Asn

#	Name	Isotope labeling	Concentration
13	GLIC ECD	[U-15N]	0.3 ~ 0.5 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %
16	Pi	natural abundance	50 mM

16 2D 1H-15N HSQC

Instrument

Bruker Avance - 900 MHz equipped with Cryoprobe

Sample

#	Name	Isotope labeling	Concentration
13	GLIC ECD	[U-15N]	0.3 ~ 0.5 mM
14	H2O	natural abundance	90 %
15	D2O	natural abundance	10 %
16	Pi	natural abundance	50 mM

17 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz equipped with Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	GLIC ECD	[U-98% 13C; U-98% 15N]	0.6 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	Pi	natural abundance	50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr17695_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	OK

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr17695_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	642		73.8 (chain: 1, length: 195)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 195, Sequence coverage: 73.8%
- Total number of assignments
  - ¹H chemical shifts: 144
  - ¹³C chemical shifts: 354
  - ¹⁵N chemical shifts: 144
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1177	144	12.2
¹³C chemical shifts	898	354	39.4
¹⁵N chemical shifts	214	144	67.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	387	144	37.2
¹³C chemical shifts	390	239	61.3
¹⁵N chemical shifts	184	144	78.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	790	0	0.0
¹³C chemical shifts	508	115	22.6
¹⁵N chemical shifts	30	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	126	0	0.0
¹³C chemical shifts	126	9	7.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	84	0	0.0
¹³C chemical shifts	81	0	0.0
¹⁵N chemical shifts	3	0	0.0

Keywords conformational exchange, Cys-loop receptors, Gloeobacter violaceus, nAChR prokaryotic homologue, NMR spectroscopy

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Found 1 Document (0.649 seconds)

BMRB: 17695

Sample #1

Sample #2

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Extracellular domain of GLIC, : 1 : 81 : 24 entities Detail

Experiments performed 17 experiments Detail

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Chemical shift validation 3 contents Detail