BMRBj - BMREntryMaster

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BMRB: 27239

2MLY

Trigger factor

Authors

Morgado, L., Burmann, B.M., Hiller, S.

Assembly

Trigger factor

Entity

1. Trigger factor (polymer, Thiol state: not present), 432 monomers, 48192.05 × 5 Da Detail

MQVSVETTQG LGRRVTITIA ADSIETAVKS ELVNVAKKVR IDGFRKGKVP MNIVAQRYGA SVRQDVLGDL MSRNFIDAII KEKINPAGAP TYVPGEYKLG EDFTYSVEFE VYPEVELQGL EAIEVEKPIV EVTDADVDGM LDTLRKQQAT WKEKDGAVEA EDRVTIDFTG SVDGEEFEGG KASDFVLAMG QGRMIPGFED GIKGHKAGEE FTIDVTFPEE YHAENLKGKA AKFAINLKKV EERELPELTA EFIKRFGVED GSVEGLRAEV RKNMERELKS AIRNRVKSQA IEGLVKANDI DVPAALIDSE IDVLRRQAAQ RFGGNEKQAL ELPRELFEEQ AKRRVVVGLL LGEVIRTNEL KADEERVKGL IEEMASAYED PKEVIEFYSK NKELMDNMRN VALEEQAVEA VLAKAKVTEK ETTFNELMNQ QA

Total weight

240960.25 Da

Max. entity weight

48192.05 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 52.3 %, Completeness: 30.6 %, Completeness (bb): 39.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	30.6 % (1534 of 5007)	27.6 % (721 of 2615)	30.9 % (600 of 1939)	47.0 % (213 of 453)
Backbone	39.8 % (1022 of 2568)	39.0 % (345 of 884)	36.9 % (466 of 1264)	50.2 % (211 of 420)
Sidechain	23.8 % (677 of 2839)	21.8 % (377 of 1731)	27.6 % (297 of 1075)	9.1 % (3 of 33)
Aromatic	14.2 % (36 of 254)	20.5 % (26 of 127)	7.9 % (10 of 126)	0.0 % (0 of 1)
Methyl	29.7 % (152 of 512)	30.1 % (77 of 256)	29.3 % (75 of 256)

1. TF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RBD	[U-13C; U-15N; U-2H]	100 uM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	100 mM
4	EDTA	natural abundance	0.5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SBD	[U-13C; U-15N; U-2H]	1 mM
6	potassium phosphate	natural abundance	20 mM
7	potassium chloride	natural abundance	100 mM
8	EDTA	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	PPD	[U-15N]	100 uM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	100 mM
12	EDTA	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RBD-SBD	[U-15N; U-2H]	5.0 ~ 500.0 uM
14	potassium phosphate	natural abundance	20 mM
15	potassium chloride	natural abundance	100 mM
16	EDTA	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

Chem. Shift Complete2

Sequence coverage: 81.9 %, Completeness: 30.7 %, Completeness (bb): 42.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	30.7 % (3071 of 10014)	28.1 % (1469 of 5230)	26.9 % (1042 of 3878)	61.8 % (560 of 906)
Backbone	42.0 % (2158 of 5136)	44.7 % (790 of 1768)	32.1 % (811 of 2528)	66.3 % (557 of 840)
Sidechain	21.1 % (1197 of 5678)	19.6 % (680 of 3462)	23.9 % (513 of 2150)	6.1 % (4 of 66)
Aromatic	10.2 % (52 of 508)	13.8 % (35 of 254)	6.7 % (17 of 252)	0.0 % (0 of 2)
Methyl	26.1 % (267 of 1024)	27.0 % (138 of 512)	25.2 % (129 of 512)

1. TF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RBD	[U-13C; U-15N; U-2H]	100 uM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	100 mM
4	EDTA	natural abundance	0.5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SBD	[U-13C; U-15N; U-2H]	1 mM
6	potassium phosphate	natural abundance	20 mM
7	potassium chloride	natural abundance	100 mM
8	EDTA	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	PPD	[U-15N]	100 uM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	100 mM
12	EDTA	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RBD-SBD	[U-15N; U-2H]	5.0 ~ 500.0 uM
14	potassium phosphate	natural abundance	20 mM
15	potassium chloride	natural abundance	100 mM
16	EDTA	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

Chem. Shift Complete3

Sequence coverage: 68.3 %, Completeness: 32.8 %, Completeness (bb): 45.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.8 % (4926 of 15021)	28.7 % (2255 of 7845)	31.4 % (1824 of 5817)	62.3 % (847 of 1359)
Backbone	45.1 % (3477 of 7704)	45.1 % (1195 of 2652)	37.9 % (1439 of 3792)	66.9 % (843 of 1260)
Sidechain	23.3 % (1988 of 8517)	20.5 % (1062 of 5193)	28.5 % (920 of 3225)	6.1 % (6 of 99)
Aromatic	10.0 % (76 of 762)	12.6 % (48 of 381)	7.4 % (28 of 378)	0.0 % (0 of 3)
Methyl	27.5 % (423 of 1536)	26.8 % (206 of 768)	28.3 % (217 of 768)

1. TF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RBD	[U-13C; U-15N; U-2H]	100 uM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	100 mM
4	EDTA	natural abundance	0.5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SBD	[U-13C; U-15N; U-2H]	1 mM
6	potassium phosphate	natural abundance	20 mM
7	potassium chloride	natural abundance	100 mM
8	EDTA	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	PPD	[U-15N]	100 uM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	100 mM
12	EDTA	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RBD-SBD	[U-15N; U-2H]	5.0 ~ 500.0 uM
14	potassium phosphate	natural abundance	20 mM
15	potassium chloride	natural abundance	100 mM
16	EDTA	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

Chem. Shift Complete4

Sequence coverage: 41.9 %, Completeness: 30.4 %, Completeness (bb): 40.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	30.4 % (6084 of 20028)	27.9 % (2918 of 10460)	27.9 % (2162 of 7756)	55.4 % (1004 of 1812)
Backbone	40.6 % (4170 of 10272)	42.1 % (1490 of 3536)	33.2 % (1681 of 5056)	59.5 % (999 of 1680)
Sidechain	22.3 % (2531 of 11356)	20.7 % (1430 of 6924)	25.4 % (1094 of 4300)	5.3 % (7 of 132)
Aromatic	10.8 % (110 of 1016)	13.8 % (70 of 508)	7.9 % (40 of 504)	0.0 % (0 of 4)
Methyl	25.8 % (529 of 2048)	26.6 % (272 of 1024)	25.1 % (257 of 1024)

1. TF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RBD	[U-13C; U-15N; U-2H]	100 uM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	100 mM
4	EDTA	natural abundance	0.5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SBD	[U-13C; U-15N; U-2H]	1 mM
6	potassium phosphate	natural abundance	20 mM
7	potassium chloride	natural abundance	100 mM
8	EDTA	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	PPD	[U-15N]	100 uM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	100 mM
12	EDTA	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RBD-SBD	[U-15N; U-2H]	5.0 ~ 500.0 uM
14	potassium phosphate	natural abundance	20 mM
15	potassium chloride	natural abundance	100 mM
16	EDTA	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

Chem. Shift Complete5

Sequence coverage: 80.3 %, Completeness: 32.8 %, Completeness (bb): 44.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.8 % (8205 of 25035)	29.1 % (3811 of 13075)	31.5 % (3055 of 9695)	59.1 % (1339 of 2265)
Backbone	44.5 % (5718 of 12840)	44.2 % (1955 of 4420)	38.5 % (2434 of 6320)	63.3 % (1329 of 2100)
Sidechain	24.0 % (3403 of 14195)	21.5 % (1858 of 8655)	28.5 % (1533 of 5375)	7.3 % (12 of 165)
Aromatic	10.9 % (138 of 1270)	14.0 % (89 of 635)	7.8 % (49 of 630)	0.0 % (0 of 5)
Methyl	26.7 % (684 of 2560)	26.4 % (338 of 1280)	27.0 % (346 of 1280)

1. TF

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	RBD	[U-13C; U-15N; U-2H]	100 uM
2	potassium phosphate	natural abundance	20 mM
3	potassium chloride	natural abundance	100 mM
4	EDTA	natural abundance	0.5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
5	SBD	[U-13C; U-15N; U-2H]	1 mM
6	potassium phosphate	natural abundance	20 mM
7	potassium chloride	natural abundance	100 mM
8	EDTA	natural abundance	0.5 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	PPD	[U-15N]	100 uM
10	potassium phosphate	natural abundance	20 mM
11	potassium chloride	natural abundance	100 mM
12	EDTA	natural abundance	0.5 mM

Sample #4

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
13	RBD-SBD	[U-15N; U-2H]	5.0 ~ 500.0 uM
14	potassium phosphate	natural abundance	20 mM
15	potassium chloride	natural abundance	100 mM
16	EDTA	natural abundance	0.5 mM

Sample #5

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

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: 0.93 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: 0.93 ppm, Outliers: 1 Detail

Release date

2017-08-28

Citation

The dynamic dimer structure of the chaperone Trigger Factor
Morgado, L., Burmann, B.M., Sharpe, T., Mazur, A., Hiller, S.
Nat. Commun. (2017), 8, 1992-1992, PubMed 29222465 , DOI 10.1038/s41467-017-02196-7 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 27242 released on 2017-08-31
Title Trigger Factor

Related entities 1. Trigger factor, : 1 : 10 : 1 : 7 : 98 entities Detail

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
17	SBD-PPD	[U-13C; U-15N; U-2H]	1 mM
18	potassium phosphate	natural abundance	20 mM
19	potassium chloride	natural abundance	100 mM
20	EDTA	natural abundance	0.5 mM

Chemical shift validation 7 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27239_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	Warning

Disulfide bonds

None

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

None

Non-standard residues

None

Content subtype: bmr27239_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	365	24.5 (chain: 1, length: 432)
2	Assigned chemical shifts	assigned_chem_shift_list_2	OK	618	71.5 (chain: 1, length: 432)
3	Assigned chemical shifts	assigned_chem_shift_list_3	OK	804	47.7 (chain: 1, length: 432)
4	Assigned chemical shifts	assigned_chem_shift_list_4	Warning	184	21.3 (chain: 1, length: 432)
5	Assigned chemical shifts	assigned_chem_shift_list_5	Warning	1098	67.1 (chain: 1, length: 432)
1	Chemical shift references	chemical_shift_reference_1	OK	3	No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 432, Sequence coverage: 24.5%
- Total number of assignments
  - ¹³C chemical shifts: 167
  - ¹H chemical shifts: 99
  - ¹⁵N chemical shifts: 99
- Completeness of assignments
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_2
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 432, Sequence coverage: 71.5%
- Total number of assignments
  - ¹H chemical shifts: 309
  - ¹⁵N chemical shifts: 309
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_3
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 432, Sequence coverage: 47.7%
- Total number of assignments
  - ¹H chemical shifts: 202
  - ¹³C chemical shifts: 400
  - ¹⁵N chemical shifts: 202
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_4
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 432, Sequence coverage: 21.3%
- Total number of assignments
  - ¹H chemical shifts: 92
  - ¹⁵N chemical shifts: 92
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: assigned_chem_shift_list_5
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 432, Sequence coverage: 67.1%
- Total number of assignments
  - ¹H chemical shifts: 279
  - ¹³C chemical shifts: 540
  - ¹⁵N chemical shifts: 279
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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	2615	309	11.8
¹⁵N chemical shifts	479	309	64.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	884	309	35.0
¹⁵N chemical shifts	420	309	73.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2615	279	10.7
¹³C chemical shifts	1939	540	27.8
¹⁵N chemical shifts	479	279	58.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	884	279	31.6
¹³C chemical shifts	864	290	33.6
¹⁵N chemical shifts	420	279	66.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	1731	0	0.0
¹³C chemical shifts	1075	250	23.3
¹⁵N chemical shifts	59	0	0.0

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Found 1 Document (0.976 seconds)

BMRB: 27239

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Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Trigger factor, : 1 : 10 : 1 : 7 : 98 entities Detail

Interaction partners 1. Trigger factor, : 44 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 7 contents Detail