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BMRB: 16921

2KXO

1H, 13C, 15N chemical shifts for the bacterial cell division regulator MinE.

Authors

Ducat, T., Goto, N.K.

Assembly

MinE dimer

Entity

1. MinE dimer (polymer, Thiol state: not present), 95 monomers, 11047.62 × 2 Da Detail

MSLIELLFGR KQKTATVARD RLQIIIAQER AQEGQTPDYL PTLRKALMEV LSKYVNVSLD NIRISQEKQD GMDVLELNIT LPEQKKVLEH HHHHH

Total weight

22095.24 Da

Max. entity weight

11047.62 Da

Source organism

Neisseria gonorrhoeae

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.7 %, Completeness: 87.0 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.0 % (1005 of 1155)	87.0 % (528 of 607)	85.6 % (381 of 445)	93.2 % (96 of 103)
Backbone	92.0 % (519 of 564)	92.1 % (175 of 190)	91.8 % (259 of 282)	92.4 % (85 of 92)
Sidechain	83.6 % (571 of 683)	84.7 % (353 of 417)	81.2 % (207 of 255)	100.0 % (11 of 11)
Aromatic	30.0 % (15 of 50)	60.0 % (15 of 25)	0.0 % (0 of 25)
Methyl	95.2 % (118 of 124)	95.2 % (59 of 62)	95.2 % (59 of 62)

1. MinE

MSLIELLFGR KQKTATVARD RLQIIIAQER AQEGQTPDYL PTLRKALMEV LSKYVNVSLD NIRISQEKQD GMDVLELNIT LPEQKKVLEH HHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
6	MinE	[U-100% 13C; U-100% 15N]	0.6 mM
7	sodium chloride	natural abundance	50 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	100 %

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: -0.15 ppm, Outliers: 3 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: -0.15 ppm, Outliers: 3 Detail

LACS Plot; HA

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: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

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: 0.33 ppm, Outliers: 1 Detail

Release date

2010-07-25

Citation

1H, 13C, 15N chemical shift assignments for the Neisseria gonorrhoeae MinE regulator of cell division septum placement
Ducat, T., Goto, N.K.
Biomol. NMR Assign. (2010), 4, 227-229, PubMed 20623208 , DOI 10.1007/s12104-010-9247-4 , Abstract

Related entities 1. MinE dimer, : 1 : 5 : 100 entities Detail

Interaction partners 1. MinE dimer, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 500 MHz University of Ottawa NMR Facility

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

2 3D HNCACB

Instrument

Varian INOVA - 500 MHz University of Ottawa NMR Facility

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

3 3D HNCA

Instrument

Varian INOVA - 500 MHz University of Ottawa NMR Facility

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 500 MHz University of Ottawa NMR Facility

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

5 3D HNCO

Instrument

Varian INOVA - 500 MHz University of Ottawa NMR Facility

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

6 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz Quebec/Eastern Ontario High Field NMR Facility with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
6	MinE	[U-100% 13C; U-100% 15N]	0.6 mM
7	sodium chloride	natural abundance	50 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	100 %

7 3D HCCH-TOCSY

Instrument

Varian INOVA - 500 MHz Quebec/Eastern Ontario High Field NMR Facility with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
6	MinE	[U-100% 13C; U-100% 15N]	0.6 mM
7	sodium chloride	natural abundance	50 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	100 %

8 3D 1H-15N TOCSY-HSQC

Instrument

Varian INOVA - 500 MHz Quebec/Eastern Ontario High Field NMR Facility with cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
1	MinE	[U-100% 13C; U-100% 15N]	0.8 ~ 1.0 mM
2	sodium chloride	natural abundance	45 mM
3	TRIS	natural abundance	22.5 mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

9 3D CCH-TOCSY

Instrument

Varian INOVA - 500 MHz Quebec/Eastern Ontario High Field NMR Facility with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
6	MinE	[U-100% 13C; U-100% 15N]	0.6 mM
7	sodium chloride	natural abundance	50 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	100 %

10 2D 1H-13C HSQC

Instrument

Varian INOVA - 500 MHz Quebec/Eastern Ontario High Field NMR Facility with cryoprobe

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2

#	Name	Isotope labeling	Concentration
6	MinE	[U-100% 13C; U-100% 15N]	0.6 mM
7	sodium chloride	natural abundance	50 mM
8	TRIS	natural abundance	25 mM
9	D2O	natural abundance	100 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr16921_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: bmr16921_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1112		94.7 (chain: 1, length: 95)
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: 95, Sequence coverage: 94.7%
- Total number of assignments
  - ¹H chemical shifts: 640
  - ¹³C chemical shifts: 377
  - ¹⁵N chemical shifts: 95
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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	607	520	85.7
¹³C chemical shifts	445	377	84.7
¹⁵N chemical shifts	109	95	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	190	174	91.6
¹³C chemical shifts	190	174	91.6
¹⁵N chemical shifts	92	84	91.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	417	346	83.0
¹³C chemical shifts	255	203	79.6
¹⁵N chemical shifts	17	11	64.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	65	60	92.3
¹³C chemical shifts	65	60	92.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	13	52.0
¹³C chemical shifts	25	0	0.0

Keywords bacterial cell division, MinE, Neisseria gonorrhoeae, topological specificity

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Found 1 Document (0.49 seconds)

BMRB: 16921

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. MinE dimer, : 1 : 5 : 100 entities Detail

Interaction partners 1. MinE dimer, : 1 interactors Detail

Experiments performed 10 experiments Detail

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Chemical shift validation 3 contents Detail