BMRBj - BMREntryMaster

Found 1 Document (0.355 seconds)

BMRB: 36220

6IVU

Solution structure of the N-terminal domain of the anti-sigma factor RsgI1 from Clostridium thermocellum

Authors

Wei, Z., Feng, Y.

Assembly

Anti-sigma-I factor RsgI1

Entity

1. Anti-sigma-I factor RsgI1 (polymer, Thiol state: not present), 53 monomers, 6161.098 Da Detail

SMNRLGIIYE IQGMKAVVLT SEGEFLIIRR RKDMKVGQQV SFENEDIYNV RGK

Formula weight

6161.098 Da

Source organism

Acetivibrio thermocellus ATCC 27405

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 98.5 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	98.5 % (642 of 652)	98.5 % (337 of 342)	98.8 % (243 of 246)	96.9 % (62 of 64)
Backbone	97.5 % (310 of 318)	97.3 % (108 of 111)	98.1 % (151 of 154)	96.2 % (51 of 53)
Sidechain	99.2 % (379 of 382)	99.1 % (229 of 231)	99.3 % (139 of 140)	100.0 % (11 of 11)
Aromatic	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)
Methyl	100.0 % (60 of 60)	100.0 % (30 of 30)	100.0 % (30 of 30)

1. entity 1

SMNRLGIIYE IQGMKAVVLT SEGEFLIIRR RKDMKVGQQV SFENEDIYNV RGK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2, Details 1.0 mM [U-13C; U-15N] RsgI1 N-terminal domain, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

Release date

2019-05-12

Citation

Alternative σI/anti-σI factors represent a unique form of bacterial σ/anti-σ complex
Wei, Z., Chen, C., Liu, Y.J., Dong, S., Li, J., Qi, K., Liu, S., Ding, X., Ora, L.O., Munoz-Gutierrez, I., Li, Y., Yao, H., Lamed, R., Bayer, E.A., Cui, Q., Feng, Y.
Nucleic Acids Res. (2019), 47, 5988-5997, PubMed 31106374 , DOI 10.1093/nar/gkz355 , Abstract

Related entities 1. Anti-sigma-I factor RsgI1, : 1 : 1 : 1 : 9 entities Detail

Interaction partners 1. Anti-sigma-I factor RsgI1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.2, Details 1.0 mM [U-13C; U-15N] RsgI1 N-terminal domain, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

3 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

4 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

5 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

6 3D HN(CA)CO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

7 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

8 3D HBHANH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

9 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

10 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

11 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

12 3D CCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

13 3D CCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

14 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

15 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

16 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1 N-terminal domain	[U-13C; U-15N]	protein	1.0 mM
2	Bis-Tris	natural abundance	buffer	20 mM
3	EDTA	natural abundance		2 mM
4	sodium chloride	natural abundance	salt	50 mM
5	H2O	natural abundance	solvent	90 %
6	D2O	[U-2H]	solvent	10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr36220_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: bmr36220_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	708		98.1 (chain: 1, length: 53)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 53, Sequence coverage: 98.1%
- Total number of assignments
  - ¹H chemical shifts: 403
  - ¹³C chemical shifts: 243
  - ¹⁵N chemical shifts: 62
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 (%)
¹H chemical shifts	342	337	98.5
¹³C chemical shifts	246	243	98.8
¹⁵N chemical shifts	64	62	96.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	111	108	97.3
¹³C chemical shifts	106	104	98.1
¹⁵N chemical shifts	53	51	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	231	229	99.1
¹³C chemical shifts	140	139	99.3
¹⁵N chemical shifts	11	11	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	33	100.0
¹³C chemical shifts	33	33	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	18	100.0
¹³C chemical shifts	18	18	100.0

Keywords TRANSCRIPTION, anti-sigma factor

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Found 1 Document (0.355 seconds)

BMRB: 36220

Sample

Related entities 1. Anti-sigma-I factor RsgI1, : 1 : 1 : 1 : 9 entities Detail

Interaction partners 1. Anti-sigma-I factor RsgI1, : 1 interactors Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 3 contents Detail