BMRBj - BMREntryMaster

Found 1 Document (0.587 seconds)

BMRB: 36221

6IVU

Solution structure of the Sigma-anti-sigma factor complex RsgI1N-SigI1C from Clostridium thermocellum

Authors

Wei, Z., Feng, Y.

Assembly

Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1

Entity

1. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 1 (polymer, Thiol state: not present), 53 monomers, 6161.098 Da Detail

SMNRLGIIYE IQGMKAVVLT SEGEFLIIRR RKDMKVGQQV SFENEDIYNV RGK

2. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 2 (polymer, Thiol state: all free), 118 monomers, 14196.42 Da Detail

MEDIEAREDI EELKKKLQEF GITFLDLVLN VPKHRDSRQL CIRLAKMLAE DEQMYNALMK NKNIPRNELK KKAKVHGRTI GNNRKYIIAL CLIFRSNLNL SKRYLEYYTM LEHHHHHH

Total weight

20357.518 Da

Max. entity weight

14196.42 Da

Source organism

Acetivibrio thermocellus ATCC 27405

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.1 %, Completeness: 94.6 %, Completeness (bb): 94.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.6 % (2031 of 2148)	94.0 % (1062 of 1130)	96.0 % (784 of 817)	92.0 % (185 of 201)
Backbone	94.6 % (967 of 1022)	92.5 % (322 of 348)	96.4 % (487 of 505)	93.5 % (158 of 169)
Sidechain	94.7 % (1221 of 1289)	94.6 % (740 of 782)	95.6 % (454 of 475)	84.4 % (27 of 32)
Aromatic	79.7 % (110 of 138)	79.7 % (55 of 69)	79.7 % (55 of 69)
Methyl	100.0 % (190 of 190)	100.0 % (95 of 95)	100.0 % (95 of 95)

1. entity 1

SMNRLGIIYE IQGMKAVVLT SEGEFLIIRR RKDMKVGQQV SFENEDIYNV RGK

2. entity 2

MEDIEAREDI EELKKKLQEF GITFLDLVLN VPKHRDSRQL CIRLAKMLAE DEQMYNALMK NKNIPRNELK KKAKVHGRTI GNNRKYIIAL CLIFRSNLNL SKRYLEYYTM LEHHHHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1 mM [U-13C; U-15N] RsgI1N, 1 mM [U-13C; U-15N] SigI1C, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	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, RNA polymerase sigma factor SigI1, entity 1, : 1 : 1 : 1 : 9 entities Detail

Related entities 2. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 2, : 1 : 1 : 9 entities Detail

Interaction partners 1. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 1, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Interaction partners 2. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 2, : 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 6.5, Details 1 mM [U-13C; U-15N] RsgI1N, 1 mM [U-13C; U-15N] SigI1C, 20 mM Bis-Tris, 50 mM sodium chloride, 2 mM EDTA, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

2 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

3 3D HNCO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

4 3D HNCA

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

5 3D HNCACB

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

6 3D CBCA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

7 3D HN(CA)CO

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

8 3D HBHA(CO)NH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

9 3D HBHANH

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

10 3D HCCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

11 3D HCCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

12 3D CCH-TOCSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

13 3D CCH-COSY

Instrument

Bruker AvanceIII - 600 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

14 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 850 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

15 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 850 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

16 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 850 MHz

Sample

#	Name	Isotope labeling	Type	Concentration
1	RsgI1N	[U-13C; U-15N]	protein	1 mM
2	SigI1C	[U-13C; U-15N]	protein	1 mM
3	Bis-Tris	natural abundance	buffer	20 mM
4	EDTA	natural abundance		2 mM
5	sodium chloride	natural abundance	salt	50 mM
6	H2O	natural abundance	solvent	90 %
7	D2O	[U-2H]	solvent	10 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr36221_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: bmr36221_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	2245		98.1 (chain: 1, length: 53), 94.9 (chain: 2, length: 118)
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%
  - Entity_assembly_ID: 2, Chain length: 118, Sequence coverage: 94.9%
- Total number of assignments
  - ¹H chemical shifts: 1280
  - ¹³C chemical shifts: 781
  - ¹⁵N chemical shifts: 184
- Completeness of assignments
  - Entity_assemble_ID: 1
  - Entity_assemble_ID: 2
- 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
  - Chain_ID: 2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	342	335	98.0
¹³C chemical shifts	246	242	98.4
¹⁵N chemical shifts	64	61	95.3

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	227	98.3
¹³C chemical shifts	140	138	98.6
¹⁵N chemical shifts	11	10	90.9

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	17	94.4
¹³C chemical shifts	18	17	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	788	741	94.0
¹³C chemical shifts	571	539	94.4
¹⁵N chemical shifts	137	123	89.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	237	220	92.8
¹³C chemical shifts	236	224	94.9
¹⁵N chemical shifts	116	106	91.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	551	521	94.6
¹³C chemical shifts	335	315	94.0
¹⁵N chemical shifts	21	17	81.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	70	69	98.6
¹³C chemical shifts	70	69	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	51	38	74.5
¹³C chemical shifts	51	38	74.5

Keywords TRANSCRIPTION, sigma factor

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Found 1 Document (0.587 seconds)

BMRB: 36221

Sample

Related entities 1. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 1, : 1 : 1 : 1 : 9 entities Detail

Related entities 2. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 2, : 1 : 1 : 9 entities Detail

Interaction partners 1. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 1, : 1 interactors Detail

Interaction partners 2. Anti-sigma-I factor RsgI1, RNA polymerase sigma factor SigI1, entity 2, : 1 interactors Detail

Experiments performed 16 experiments Detail

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Chemical shift validation 4 contents Detail