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Found 1 Document (2.229 seconds)

BMRB: 30078

5JS8

Structural Model of a Protein alpha subunit in complex with GDP obtained with SAXS and NMR residual couplings

Authors

Goricanec, D., Stehle, R., Grigoriu, S., Wagner, G., Hagn, F.

Assembly

Guanine nucleotide-binding protein G(i) subunit alpha-1

Entity

1. Guanine nucleotide-binding protein G(i) subunit alpha-1 (polymer, Thiol state: all free), 326 monomers, 37199.03 Da Detail

GASREVKLLL LGAGESGKST IVKQMKIIHE AGYSEEECKQ YKAVVYSNTI QSIIAIIRAM GRLKIDFGDS ARADDARQLF VLAGAAEEGF MTAELAGVIK RLWKDSGVQA CFNRSREYQL NDSAAYYLND LDRIAQPNYI PTQQDVLRTR VKTTGIVETH FTFKDLHFKM FDVGGQRSER KKWIHCFEGV AAIIFCVALS DYDLVLAEDE EMNRMHESMK LFDSICNNKW FTDTSIILFL NKKDLFEEKI KKSPLTICYQ EYAGSNTYEE AAAYIQCQFE DLNKRKDTKE IYTHFTCATD TKNVQFVFDA VTDVIIKNNL KDCGLF

Formula weight

37199.03 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 76.4 %, Completeness: 26.7 %, Completeness (bb): 52.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	26.7 % (629 of 2357)	19.1 % (382 of 2003)	69.8 % (247 of 354)
Backbone	52.4 % (518 of 989)	41.1 % (274 of 666)	75.5 % (244 of 323)
Sidechain	8.1 % (111 of 1368)	8.1 % (108 of 1337)	9.7 % (3 of 31)
Aromatic	5.6 % (10 of 180)	4.0 % (7 of 177)	100.0 % (3 of 3)
Methyl	12.0 % (22 of 183)	12.0 % (22 of 183)

1. Guanine nucleotide-binding protein G(i) subunit alpha-1

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 400 uM [U-95% 2H; U-98% 13C; U-98% 15N] G protein alpha subunit, subtype i,1, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 250 uM [U-90% 2H; U-98% 15N] G protein alpha subunit, subtype i,1, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	G protein alpha subunit, subtype i,1	[U-90% 2H; U-98% 15N]	250 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %
11	DTT	natural abundance	5 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	50 mM
14	magnesium chloride	natural abundance	5 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 5JS8, Strand ID: A Detail

Release date

2016-06-23

Citation

Conformational dynamics of a G-protein α subunit is tightly regulated by nucleotide binding
Goricanec, D., Stehle, R., Egloff, P., Grigoriu, S., Plueckthun, A., Wagner, G., Hagn, F.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, E3629-E3638, PubMed 27298341 , DOI 10.1073/pnas.1604125113 , Abstract

Related entities 1. Guanine nucleotide-binding protein G(i) subunit alpha-1, : 1 : 1 : 357 entities Detail

Interaction partners 1. Guanine nucleotide-binding protein G(i) subunit alpha-1, : 37 interactors Detail

More details for 37 interactors identified by 15 citations

Experiments performed 8 experiments Detail

1 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 400 uM [U-95% 2H; U-98% 13C; U-98% 15N] G protein alpha subunit, subtype i,1, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

2 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

3 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

4 3D HN(CO)CA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

5 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

6 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 250 uM [U-90% 2H; U-98% 15N] G protein alpha subunit, subtype i,1, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	G protein alpha subunit, subtype i,1	[U-90% 2H; U-98% 15N]	250 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %
11	DTT	natural abundance	5 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	50 mM
14	magnesium chloride	natural abundance	5 mM

7 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	G protein alpha subunit, subtype i,1	[U-95% 2H; U-98% 13C; U-98% 15N]	400 uM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	DTT	natural abundance	5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	50 mM
7	magnesium chloride	natural abundance	5 mM

8 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details 250 uM [U-90% 2H; U-98% 15N] G protein alpha subunit, subtype i,1, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
8	G protein alpha subunit, subtype i,1	[U-90% 2H; U-98% 15N]	250 uM
9	H2O	natural abundance	95 %
10	D2O	natural abundance	5 %
11	DTT	natural abundance	5 mM
12	sodium phosphate	natural abundance	20 mM
13	sodium chloride	natural abundance	50 mM
14	magnesium chloride	natural abundance	5 mM

NMR combined restraints 2 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts	combined_30078_5js8.nef
Input source #2: Coordindates	5js8.cif
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	Error

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

-30-------40--------50--------60--------70--------80--------90-------100-------110-------120-------1
GASREVKLLLLGAGESGKSTIVKQMKIIHEAGYSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARADDARQLFVLAGAAEEGFMTAELAGVIK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
GASREVKLLLLGAGESGKSTIVKQMKIIHEAGYSEEECKQYKAVVYSNTIQSIIAIIRAMGRLKIDFGDSARADDARQLFVLAGAAEEGFMTAELAGVIK
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

30-------140-------150-------160-------170-------180-------190-------200-------210-------220-------2
RLWKDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRVKTTGIVETHFTFKDLHFKMFDVGGQRSERKKWIHCFEGVAAIIFCVALS
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
RLWKDSGVQACFNRSREYQLNDSAAYYLNDLDRIAQPNYIPTQQDVLRTRVKTTGIVETHFTFKDLHFKMFDVGGQRSERKKWIHCFEGVAAIIFCVALS
-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200

30-------240-------250-------260-------270-------280-------290-------300-------310-------320-------3
DYDLVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKSPLTICYQEYAGSNTYEEAAAYIQCQFEDLNKRKDTKEIYTHFTCATD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
DYDLVLAEDEEMNRMHESMKLFDSICNNKWFTDTSIILFLNKKDLFEEKIKKSPLTICYQEYAGSNTYEEAAAYIQCQFEDLNKRKDTKEIYTHFTCATD
-------210-------220-------230-------240-------250-------260-------270-------280-------290-------300

30-------340-------350----
TKNVQFVFDAVTDVIIKNNLKDCGLF
||||||||||||||||||||||||||
TKNVQFVFDAVTDVIIKNNLKDCGLF
-------310-------320------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	326	0	0	100.0

Content subtype: combined_30078_5js8.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	486		74.2 (chain: A, length: 326)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 326, Sequence coverage: 74.2%
- Total number of assignments
  - ¹H chemical shifts: 243
  - ¹⁵N chemical shifts: 243
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2003	243	12.1
¹⁵N chemical shifts	369	243	65.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	666	240	36.0
¹⁵N chemical shifts	323	240	74.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1337	3	0.2
¹⁵N chemical shifts	46	3	6.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	190	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	177	3	1.7
¹⁵N chemical shifts	3	3	100.0

Keywords G-proteins, GPCR, SAXS, signaling protein, singling

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Found 1 Document (2.229 seconds)

BMRB: 30078

Sample #1

Sample #2

Related entities 1. Guanine nucleotide-binding protein G(i) subunit alpha-1, : 1 : 1 : 357 entities Detail

Interaction partners 1. Guanine nucleotide-binding protein G(i) subunit alpha-1, : 37 interactors Detail

Experiments performed 8 experiments Detail

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NMR combined restraints 2 contents Detail