BMRBj - BMREntryMaster

Found 1 Document (0.63 seconds)

BMRB: 30662

6U6S

Solution NMR Structure Of The Partially Activated MTS Deleted Form MinE Protein (delta10-ngMinE) From Neisseria gonorrheae

Authors

Cai, M., Shen, Y., Clore, M.

Assembly

Cell division topological specificity factor

Entity

1. Cell division topological specificity factor (polymer, Thiol state: not present), 85 monomers, 9945.223 × 2 Da Detail

KQKTATVARD RLQIIIAQER AQEGQTPDYL PTLRKELMEV LSKYVNVSLD NIRISQEKQD GMDVLELNIT LPEQKKVLEH HHHHH

Total weight

19890.445 Da

Max. entity weight

9945.223 Da

Source organism

Neisseria gonorrhoeae

Exptl. method

solution NMR

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 47.8 %, Completeness (bb): 91.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	47.8 % (493 of 1032)	32.2 % (175 of 544)	61.0 % (241 of 395)	82.8 % (77 of 93)
Backbone	91.1 % (459 of 504)	88.2 % (149 of 169)	92.5 % (234 of 253)	92.7 % (76 of 82)
Sidechain	18.3 % (112 of 611)	6.9 % (26 of 375)	37.8 % (85 of 225)	9.1 % (1 of 11)
Aromatic	15.0 % (6 of 40)	20.0 % (4 of 20)	10.0 % (2 of 20)
Methyl	12.3 % (13 of 106)	7.5 % (4 of 53)	17.0 % (9 of 53)

1. entity 1

KQKTATVARD RLQIIIAQER AQEGQTPDYL PTLRKELMEV LSKYVNVSLD NIRISQEKQD GMDVLELNIT LPEQKKVLEH HHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-13C/15N MinE-d10, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d10	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	25 mM
3	EDTA	natural abundance	0.5 mM
4	benzamidine chloride	natural abundance	0.1 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-13C/15N MinE-wt, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
5	MinE-wt	[U-13C; U-15N]	1.0 mM
6	potassium phosphate	natural abundance	25 mM
7	EDTA	natural abundance	0.5 mM
8	benzamidine chloride	natural abundance	0.1 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-d10-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
9	MinE-d10-RDC	[U-2H; U-15N]		1.0 mM
10	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-wt-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM
12	MinE-wt-RDC	[U-2H; U-15N]		1.0 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6U6Q, Strand ID: A, B Detail

Release date

2019-11-14

Citation

Probing transient excited states of the bacterial cell division regulator MinE by relaxation dispersion NMR spectroscopy
Cai, M., Huang, Y., Shen, Y., Li, M., Mizuuchi, M., Ghirlando, R., Mizuuchi, K., Clore, G.M.
Proc. Natl. Acad. Sci. U. S. A. (2019), 116, 25446-25455, PubMed 31772021 , DOI 10.1073/pnas.1915948116 , Abstract

Related entities 1. Cell division topological specificity factor, : 1 : 1 : 5 : 101 entities Detail

Interaction partners 1. Cell division topological specificity factor, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 12 experiments Detail

1 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-13C/15N MinE-d10, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d10	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	25 mM
3	EDTA	natural abundance	0.5 mM
4	benzamidine chloride	natural abundance	0.1 mM

2 3D HNCACB

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MinE-d10	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	25 mM
3	EDTA	natural abundance	0.5 mM
4	benzamidine chloride	natural abundance	0.1 mM

3 3D HNCO

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MinE-d10	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	25 mM
3	EDTA	natural abundance	0.5 mM
4	benzamidine chloride	natural abundance	0.1 mM

4 3D HBHA(CBCACO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	MinE-d10	[U-13C; U-15N]	1.0 mM
2	potassium phosphate	natural abundance	25 mM
3	EDTA	natural abundance	0.5 mM
4	benzamidine chloride	natural abundance	0.1 mM

5 3D CBCA(CO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-13C/15N MinE-wt, 25 mM potassium phosphate, 0.5 mM EDTA, 0.1 mM benzamidine chloride, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
5	MinE-wt	[U-13C; U-15N]	1.0 mM
6	potassium phosphate	natural abundance	25 mM
7	EDTA	natural abundance	0.5 mM
8	benzamidine chloride	natural abundance	0.1 mM

6 3D HBHA(CBCACO)NH

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	MinE-wt	[U-13C; U-15N]	1.0 mM
6	potassium phosphate	natural abundance	25 mM
7	EDTA	natural abundance	0.5 mM
8	benzamidine chloride	natural abundance	0.1 mM

7 3D HNCO

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	MinE-wt	[U-13C; U-15N]	1.0 mM
6	potassium phosphate	natural abundance	25 mM
7	EDTA	natural abundance	0.5 mM
8	benzamidine chloride	natural abundance	0.1 mM

8 3D HNCACB

Instrument

Bruker AVANCE - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
5	MinE-wt	[U-13C; U-15N]	1.0 mM
6	potassium phosphate	natural abundance	25 mM
7	EDTA	natural abundance	0.5 mM
8	benzamidine chloride	natural abundance	0.1 mM

9 HSQC IPAP

Instrument

Bruker AVANCE - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-d10-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
9	MinE-d10-RDC	[U-2H; U-15N]		1.0 mM
10	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM

10 HSQC IPAP

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-d10-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
9	MinE-d10-RDC	[U-2H; U-15N]		1.0 mM
10	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM

11 HSQC IPAP

Instrument

Bruker AVANCE - 600 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-wt-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM
12	MinE-wt-RDC	[U-2H; U-15N]		1.0 mM

12 HSQC IPAP

Instrument

Bruker AVANCE - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1.0 mM U-2H/15N MinE-wt-RDC, 1.0 mM U-2H/15N MinE-d10-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d10-CPMG	[U-2H; U-15N]		1.0 mM
12	MinE-wt-RDC	[U-2H; U-15N]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30662_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: bmr30662_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	459		94.1 (chain: 1, length: 85)
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: 85, Sequence coverage: 94.1%
- Total number of assignments
  - ¹H chemical shifts: 149
  - ¹³C chemical shifts: 234
  - ¹⁵N chemical shifts: 76
- 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	544	149	27.4
¹³C chemical shifts	395	234	59.2
¹⁵N chemical shifts	98	76	77.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	169	149	88.2
¹³C chemical shifts	170	156	91.8
¹⁵N chemical shifts	82	76	92.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	375	0	0.0
¹³C chemical shifts	225	78	34.7
¹⁵N chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	55	0	0.0
¹³C chemical shifts	55	4	7.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	20	0	0.0
¹³C chemical shifts	20	0	0.0

Keywords CELL CYCLE, CELL DIVISION, MinD, MinE

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Found 1 Document (0.63 seconds)

BMRB: 30662

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Related entities 1. Cell division topological specificity factor, : 1 : 1 : 5 : 101 entities Detail

Interaction partners 1. Cell division topological specificity factor, : 1 interactors Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 3 contents Detail