BMRBj - BMREntryMaster

Found 1 Document (1.234 seconds)

BMRB: 30456

6D6S

Solution structure of Trigger Factor dimer

Authors

Saio, T., Kawagoe, S., Ishimori, K., Kalodimos, C.G.

Assembly

Trigger factor (E.C.5.2.1.8)

Entity

1. Trigger factor (E.C.5.2.1.8) (polymer, Thiol state: not present), 443 monomers, 49624.62 × 2 Da Detail

MNHKVHHHHH HMQVSVETTQ GLGRRVTITI AADSIETAVK SELVNVAKKV RIDGFRKGKV PMNIVAQRYG ASVRQDVLGD LMSRNFIDAI IKEKINPAGA PTYVPGEYKL GEDFTYSVEF EVYPEVELQG LEAIEVEKPI VEVTDADVDG MLDTLRKQQA TWKEKDGAVE AEDRVTIDFT GSVDGEEFEG GKASDFVLAM GQGRMIPGFE DGIKGHKAGE EFTIDVTFPE EYHAENLKGK AAKFAINLKK VEERELPELT AEFIKRFGVE DGSVEGLRAE VRKNMERELK SAIRNRVKSQ AIEGLVKAND IDVPAALIDS EIDVLRRQAA QRFGGNEKQA LELPRELFEE QAKRRVVVGL LLGEVIRTNE LKADEERVKG LIEEMASAYE DPKEVIEFYS KNKELMDNMR NVALEEQAVE AVLAKAKVTE KETTFNELMN QQA

Total weight

99249.24 Da

Max. entity weight

49624.62 Da

Source organism

Escherichia coli O157:H7

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 88.0 %, Completeness: 36.5 %, Completeness (bb): 43.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	36.5 % (1879 of 5143)	33.6 % (902 of 2685)	30.6 % (610 of 1993)	78.9 % (367 of 465)
Backbone	43.3 % (1140 of 2634)	50.1 % (454 of 906)	24.8 % (322 of 1297)	84.5 % (364 of 431)
Sidechain	29.6 % (865 of 2920)	25.3 % (450 of 1779)	37.2 % (412 of 1107)	8.8 % (3 of 34)
Aromatic	43.3 % (122 of 282)	44.7 % (63 of 141)	42.1 % (59 of 140)	0.0 % (0 of 1)
Methyl	83.1 % (429 of 516)	82.6 % (213 of 258)	83.7 % (216 of 258)

1. entity 1

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 2.2 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] Trigger Factor, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.6 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3] Trigger Factor, 0.6 mM [Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] TF, 100% D2O

#	Name	Isotope labeling	Type	Concentration
2	TF	[Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.6 mM
3	Trigger Factor	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3]		0.6 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3] PPD-SBD, 100% D2O

#	Name	Isotope labeling	Type	Concentration
4	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM
5	PPD-SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3]		0.3 mM

Sample #4

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
6	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM

Sample #5

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.8 mM [U-99% 13C; U-99% 15N] PPD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
7	PPD	[U-99% 13C; U-99% 15N]		0.8 mM

Sample #6

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.5 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] SBD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

Release date

2018-04-25

Citation

Oligomerization of a molecular chaperone modulates its activity
Saio, T., Kawagoe, S., Ishimori, K., Kalodimos, C.G.
Elife (2018), 7, e35731-e35731, PubMed 29714686 , DOI 10.7554/eLife.35731 , Abstract

Related entities 1. Trigger factor (E.C.5.2.1.8), : 1 : 3 : 14 : 99 entities Detail

Sample

#	Name	Isotope labeling	Type	Concentration
2	TF	[Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.6 mM
3	Trigger Factor	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3]		0.6 mM

6 3D (1H)-13C HMQC-NOESY-1H-13C HMQC

Instrument

Varian UNITY - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3] PPD-SBD, 100% D2O

#	Name	Isotope labeling	Type	Concentration
4	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM
5	PPD-SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3]		0.3 mM

7 3D-SOFAST-(1H)-13C HMQC-NOESY-1H-13C HMQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
4	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM
5	PPD-SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3]		0.3 mM

8 13C-edited SOFAST-NOESY-HMQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
4	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM
5	PPD-SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3]		0.3 mM

9 3D (1H)-13C HMQC-NOESY-1H-13C HMQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.5 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] SBD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

10 3D (1H)-15N HMQC-NOESY-1H-13C HMQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

11 3D (1H)-13C HMQC-NOESY-1H-15N HMQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

12 13C-edited NOESY-HMQC

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

13 15N-edited NOESY-HSQC

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
8	SBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.5 mM

14 13C-edited NOESY-HSQC

Instrument

Varian UNITY - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.8 mM [U-99% 13C; U-99% 15N] PPD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
7	PPD	[U-99% 13C; U-99% 15N]		0.8 mM

15 15N-edited NOESY-HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.8 mM [U-99% 13C; U-99% 15N] PPD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
7	PPD	[U-99% 13C; U-99% 15N]		0.8 mM

16 3D (1H)-13C HMQC-NOESY-1H-13C HMQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0, Details 0.3 mM [U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N] RBD, 93% H2O/7% D2O

#	Name	Isotope labeling	Type	Concentration
6	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM

17 13C-edited NOESY-HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
6	RBD	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		0.3 mM

18 2D 1H-13C HMQC

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

19 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

20 2D 1H-13C HMQC

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

21 2D 1H-13C HMQC

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

22 2D 1H-13C HSQC aromatic

Instrument

Varian UNITY - 800 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	TF	[U-2H; Ala-13CH3; Met-13CH3; Ile-d1-13CH3; Leu/Val-13CH3/13CH3; Phe-13C15N; Tyr-13C15N]		2.2 mM

NMR combined restraints 5 contents Detail

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	443	0	0	100.0
B	B	443	0	0	100.0

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1226		81.7 (chain: A, length: 443)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	7427 (1)	noe	73.8 (chain: A, length: 443), 73.6 (chain: B, length: 443)
2	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	776 (1)	hbond	58.5 (chain: A, length: 443), 58.5 (chain: B, length: 443)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	Warning	128 (128)	.	21.9 (chain: A, length: 443)

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2685	615	22.9
¹³C chemical shifts	1993	280	14.0
¹⁵N chemical shifts	491	331	67.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	906	331	36.5
¹³C chemical shifts	886	0	0.0
¹⁵N chemical shifts	431	331	76.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1779	284	16.0
¹³C chemical shifts	1107	280	25.3
¹⁵N chemical shifts	60	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	270	222	82.2
¹³C chemical shifts	270	222	82.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	141	62	44.0
¹³C chemical shifts	140	58	41.4
¹⁵N chemical shifts	1	0	0.0

Keywords CHAPERONE, molecular chaperone, oligomerization, protein folding

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30456_6d6s.nef
Input source #2: Coordindates	6d6s.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	Warning

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Found 1 Document (1.234 seconds)

BMRB: 30456

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Related entities 1. Trigger factor (E.C.5.2.1.8), : 1 : 3 : 14 : 99 entities Detail

Interaction partners 1. Trigger factor (E.C.5.2.1.8), : 44 interactors Detail

Experiments performed 22 experiments Detail

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NMR combined restraints 5 contents Detail