BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	91.7 % (753 of 821)	89.1 % (383 of 430)	95.9 % (304 of 317)	89.2 % (66 of 74)
Backbone	96.8 % (399 of 412)	96.4 % (135 of 140)	97.1 % (198 of 204)	97.1 % (66 of 68)
Sidechain	88.0 % (418 of 475)	85.5 % (248 of 290)	95.0 % (170 of 179)	0.0 % (0 of 6)
Aromatic	85.7 % (36 of 42)	85.7 % (18 of 21)	85.7 % (18 of 21)
Methyl	96.3 % (79 of 82)	95.1 % (39 of 41)	97.6 % (40 of 41)

1. HTH-type transcriptional regulator SinR

MIGQRIKQYR KEKGYSLSEL AEKAGVAKSY LSSIERNLQT NPSIQFLEKV SAVLDVSVHT LLDEKHETE

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	SinrN	[U-15N]	1 mM
3	sodium azide	natural abundance	0.02 %
4	sodium chloride	natural abundance	200 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-13C; U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-13C; U-15N] SinRN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
13	MES	natural abundance	20 mM
14	SinRN	[U-13C; U-15N]	1 mM
15	sodium azide	natural abundance	0.02 %
16	sodium chloride	natural abundance	200 mM
17	D2O	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -1.64 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -1.64 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.05 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 5TN0, Strand ID: A Detail

Release date

2016-11-27

Citation

The Solution Structures and Interaction of SinR and SinI: Elucidating the Mechanism of Action of the Master Regulator Switch for Biofilm Formation in Bacillus subtilis
Milton, M.E., Draughn, G.L., Bobay, B.G., Stowe, S.D., Olson, A.L., Feldmann, E.A., Thompson, R.J., Myers, K.H., Santoro, M.T., Kearns, D.B., Cavanagh, J.
J. Mol. Biol. (2020), 432, 343-357, PubMed 31493408 , DOI 10.1016/j.jmb.2019.08.019 , Abstract

Related entities 1. HTH-type transcriptional regulator SinR, : 1 : 4 : 105 entities Detail

Interaction partners 1. HTH-type transcriptional regulator SinR, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	SinrN	[U-15N]	1 mM
3	sodium azide	natural abundance	0.02 %
4	sodium chloride	natural abundance	200 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-13C; U-15N] SinRN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 100% D2O

#	Name	Isotope labeling	Concentration
13	MES	natural abundance	20 mM
14	SinRN	[U-13C; U-15N]	1 mM
15	sodium azide	natural abundance	0.02 %
16	sodium chloride	natural abundance	200 mM
17	D2O	natural abundance	100 %

3 3D HNCA

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 1 mM [U-13C; U-15N] SinrN, 20 mM MES, 200 mM sodium chloride, 0.02 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

4 3D HN(CO)CA

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

6 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
13	MES	natural abundance	20 mM
14	SinRN	[U-13C; U-15N]	1 mM
15	sodium azide	natural abundance	0.02 %
16	sodium chloride	natural abundance	200 mM
17	D2O	natural abundance	100 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	SinrN	[U-15N]	1 mM
3	sodium azide	natural abundance	0.02 %
4	sodium chloride	natural abundance	200 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

9 3D 1H-15N TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MES	natural abundance	20 mM
2	SinrN	[U-15N]	1 mM
3	sodium azide	natural abundance	0.02 %
4	sodium chloride	natural abundance	200 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

10 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

11 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

12 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	MES	natural abundance	20 mM
8	SinrN	[U-13C; U-15N]	1 mM
9	sodium azide	natural abundance	0.02 %
10	sodium chloride	natural abundance	200 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30193_5tn0.nef
Input source #2: Coordindates	5tn0.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

Disulfide bonds

None

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60---------
MIGQRIKQYRKEKGYSLSELAEKAGVAKSYLSSIERNLQTNPSIQFLEKVSAVLDVSVHTLLDEKHETE
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MIGQRIKQYRKEKGYSLSELAEKAGVAKSYLSSIERNLQTNPSIQFLEKVSAVLDVSVHTLLDEKHETE

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	69	0	0	100.0

Content subtype: combined_30193_5tn0.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	759		98.6 (chain: A, length: 69)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	1264 (1)	noe	95.7 (chain: A, length: 69)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	81 (81)	.	75.4 (chain: A, length: 69)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 98.6%
- Total number of assignments
  - ¹H chemical shifts: 384
  - ¹³C chemical shifts: 309
  - ¹⁵N chemical shifts: 66
- Completeness of assignments
  - Entity_assemble_ID: A
- 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: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	430	384	89.3
¹³C chemical shifts	317	309	97.5
¹⁵N chemical shifts	77	66	85.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	140	137	97.9
¹³C chemical shifts	138	136	98.6
¹⁵N chemical shifts	68	66	97.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	290	247	85.2
¹³C chemical shifts	179	173	96.6
¹⁵N chemical shifts	9	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	42	41	97.6
¹³C chemical shifts	42	41	97.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	21	18	85.7
¹³C chemical shifts	21	18	85.7

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 95.7%
- Total number of restraints: 1264
- Weight of restraints: 1.0 (1264)
- Potential type of restraints: upper-bound-parabolic (1264)
- Range of distance target values: 2.0, 5.5 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 69, Sequence coverage: 75.4%
- Total number of restraints: 81
- Total number of restraints per polymer type: 81
- Weight of restraints: 1.0 (81)
- Potential type of restraints: square-well-parabolic (81)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords biofilm formation

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Found 1 Document (0.641 seconds)

BMRB: 30193

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HTH-type transcriptional regulator SinR, : 1 : 4 : 105 entities Detail

Interaction partners 1. HTH-type transcriptional regulator SinR, : 3 interactors Detail

Experiments performed 12 experiments Detail

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NMR combined restraints 4 contents Detail