BMRBj - BMREntryMaster

Found 1 Document (2.096 seconds)

BMRB: 6228

1W1N

The Solution Structure of the FATC Domain of the Protein Kinase TOR Suggest a Redox Regulatory Mechanism

Authors

Dames, S.A., Mulet, J.M., Rathgeb-Szabo, K., Hall, M.N., Grzesiek, S.

Assembly

yeast TOR1 FATC

Entity

1. yeast TOR1 FATC (polymer, Thiol state: all disulfide bound), 33 monomers, 3960.446 Da Detail

NELDVPEQVD KLIQQATSIE RLCQHYIGWC PFW

Formula weight

3960.446 Da

Entity Connection

disulfide 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS23:SG	1:CYS30:SG

Source organism

Saccharomyces cerevisiae

Exptl. method

NMR

Refine. method

RESTRAINED TORSION ANGLE MOLECULAR DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.1 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (398 of 410)	97.7 % (209 of 214)	96.8 % (153 of 158)	94.7 % (36 of 38)
Backbone	94.3 % (183 of 194)	93.8 % (61 of 65)	94.9 % (93 of 98)	93.5 % (29 of 31)
Sidechain	99.6 % (247 of 248)	99.3 % (148 of 149)	100.0 % (92 of 92)	100.0 % (7 of 7)
Aromatic	100.0 % (46 of 46)	100.0 % (23 of 23)	100.0 % (21 of 21)	100.0 % (2 of 2)
Methyl	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)

1. target of rapamycin

NELDVPEQVD KLIQQATSIE RLCQHYIGWC PFW

Show sample condition

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 1W1N, Strand ID: A Detail

Release date

2004-06-10

Citation

The solution structure of the FATC domain of the protein kinase target of rapamycin suggests a role for redox-dependent structural and cellular stability
Dames, S.A., Mulet, J.M., Rathgeb-Szabo, K., Hall, M.N., Grzesiek, S.
J. Biol. Chem. (2005), 280, 20558-20564, PubMed 15772072 , DOI 10.1074/jbc.M501116200 , Abstract

Related entities 1. yeast TOR1 FATC, : 1 : 4 : 97 entities Detail

Interaction partners 1. yeast TOR1 FATC, : 71 interactors Detail

More details for 71 interactors identified by 11 citations

Experiments performed 17 experiments Detail

1 3D CBCANH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

2 3D CBCA(CO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

3 3D HBHA(CBCACO)NH

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

4 3D CCONH-TOCSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

5 3D HCCH-TOCSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

6 3D HNCO

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

7 3D HAHB-COSY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

8 3D HNHA

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

9 3D 15N ROESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

10 3D 15N NOESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

11 3D 13C NOESY

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

12 13CO-{13Cg)-SED-15N HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

13 15N-{13Cg)-SED-15N HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

14 15N-1H-IPAP-HSQC

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

15 T1 measurement

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

16 T2 measurement

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

17 {1H}-15N-NOE

Instrument

#1 Model Bruker DRX (600 MHz)

#2 Model Bruker DRX (800 MHz)

Sample #1

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Concentration
1	target of rapamycin	[U-95% 13C; U-90% 15N]	0.5 mM
2	H2O		95 %
3	D2O		5 %
4	Tris		10 mM

Sample #2

Temperature 298 (±1) K, pH 6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	target of rapamycin	[U-95% 13C; U-90% 15N]		0.5 mM
6	Tris			10 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6228_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:23:CYS:SG	1:30:CYS:SG	oxidized, CA 55.671, CB 39.482 ppm	oxidized, CB 40.924 ppm	n/a

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

None

Non-standard residues

None

Content subtype: bmr6228_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_set_1	Warning	438		100.0 (chain: 1, length: 33)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: chemical_shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 33, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 154
  - ¹H chemical shifts: 247
  - ¹⁵N chemical shifts: 37
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- 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 (%)
¹³C chemical shifts	158	154	97.5
¹H chemical shifts	214	211	98.6
¹⁵N chemical shifts	39	37	94.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	66	62	93.9
¹H chemical shifts	65	63	96.9
¹⁵N chemical shifts	31	30	96.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	92	92	100.0
¹H chemical shifts	149	148	99.3
¹⁵N chemical shifts	8	7	87.5

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Found 1 Document (2.096 seconds)

BMRB: 6228

Sample #1

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Related entities 1. yeast TOR1 FATC, : 1 : 4 : 97 entities Detail

Interaction partners 1. yeast TOR1 FATC, : 71 interactors Detail

Experiments performed 17 experiments Detail

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