BMRBj - BMREntryMaster

Found 1 Document (0.639 seconds)

BMRB: 30663

6U6Q

Solution NMR Structure Of The delta30-ngMinE Protein 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), 65 monomers, 7624.532 × 2 Da Detail

AQEGQTPDYL PTLRKELMEV LSKYVNVSLD NIRISQEKQD GMDVLELNIT LPEQKKVLEH HHHHH

Total weight

15249.064 Da

Max. entity weight

7624.532 Da

Source organism

Neisseria gonorrhoeae

Exptl. method

NMR

Refine. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.1 %, Completeness: 32.8 %, Completeness (bb): 66.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	32.8 % (258 of 786)	13.3 % (55 of 413)	50.2 % (152 of 303)	72.9 % (51 of 70)
Backbone	66.7 % (256 of 384)	41.1 % (53 of 129)	78.8 % (152 of 193)	82.3 % (51 of 62)
Sidechain	11.6 % (54 of 465)	0.7 % (2 of 284)	30.1 % (52 of 173)	0.0 % (0 of 8)
Aromatic	0.0 % (0 of 40)	0.0 % (0 of 20)	0.0 % (0 of 20)
Methyl	1.3 % (1 of 76)	0.0 % (0 of 38)	2.6 % (1 of 38)

1. entity 1

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-d30, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d30	[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 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM U-2H/15N MinE-d30-RDC, 1 mM U-2H/15N MinE-d30-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	MinE-d30-RDC	[U-2H; U-15N]		1 mM
6	MinE-d30-CPMG	[U-2H; U-15N]		1 mM

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM U-13C/15N MinE-d30-I24N, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	MinE-d30-I24N	[U-13C; U-15N]	1 mM
8	potassium phosphate	natural abundance	25 mM
9	EDTA	natural abundance	0.5 mM
10	benzamidine chloride	natural abundance	0.1 mM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM 2H/15N MinE-d30-I24N-RDC, 1 mM 2H/15N MinE-d30-I24N-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d30-I24N-RDC	[U-2H; U-15N]		1 mM
12	MinE-d30-I24N-CPMG	[U-2H; U-15N]		1 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6U6R, 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 : 2 : 4 : 31 entities Detail

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-d30, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d30	[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

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-d30, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d30	[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

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-d30, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d30	[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

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-d30, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
1	MinE-d30	[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 mM U-13C/15N MinE-d30-I24N, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	MinE-d30-I24N	[U-13C; U-15N]	1 mM
8	potassium phosphate	natural abundance	25 mM
9	EDTA	natural abundance	0.5 mM
10	benzamidine chloride	natural abundance	0.1 mM

6 3D HBHA(CBCACO)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 mM U-13C/15N MinE-d30-I24N, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	MinE-d30-I24N	[U-13C; U-15N]	1 mM
8	potassium phosphate	natural abundance	25 mM
9	EDTA	natural abundance	0.5 mM
10	benzamidine chloride	natural abundance	0.1 mM

7 3D HNCO

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 mM U-13C/15N MinE-d30-I24N, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	MinE-d30-I24N	[U-13C; U-15N]	1 mM
8	potassium phosphate	natural abundance	25 mM
9	EDTA	natural abundance	0.5 mM
10	benzamidine chloride	natural abundance	0.1 mM

8 3D HNCACB

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 mM U-13C/15N MinE-d30-I24N, 95% H2O/5% D2O

#	Name	Isotope labeling	Concentration
7	MinE-d30-I24N	[U-13C; U-15N]	1 mM
8	potassium phosphate	natural abundance	25 mM
9	EDTA	natural abundance	0.5 mM
10	benzamidine chloride	natural abundance	0.1 mM

9 HSQC IPAP

Instrument

Bruker AVANCE - 800 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM U-2H/15N MinE-d30-RDC, 1 mM U-2H/15N MinE-d30-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	MinE-d30-RDC	[U-2H; U-15N]		1 mM
6	MinE-d30-CPMG	[U-2H; U-15N]		1 mM

10 HSQC IPAP

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM U-2H/15N MinE-d30-RDC, 1 mM U-2H/15N MinE-d30-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
5	MinE-d30-RDC	[U-2H; U-15N]		1 mM
6	MinE-d30-CPMG	[U-2H; U-15N]		1 mM

11 HSQC IPAP

Instrument

Bruker AVANCE - 800 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM 2H/15N MinE-d30-I24N-RDC, 1 mM 2H/15N MinE-d30-I24N-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d30-I24N-RDC	[U-2H; U-15N]		1 mM
12	MinE-d30-I24N-CPMG	[U-2H; U-15N]		1 mM

12 HSQC IPAP

Instrument

Bruker AVANCE - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 6.5, Details 1 mM 2H/15N MinE-d30-I24N-RDC, 1 mM 2H/15N MinE-d30-I24N-CPMG, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
11	MinE-d30-I24N-RDC	[U-2H; U-15N]		1 mM
12	MinE-d30-I24N-CPMG	[U-2H; U-15N]		1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30663_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: bmr30663_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	254		83.1 (chain: 1, length: 65)
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: 65, Sequence coverage: 83.1%
- Total number of assignments
  - ¹H chemical shifts: 51
  - ¹³C chemical shifts: 152
  - ¹⁵N chemical shifts: 51
- 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	413	51	12.3
¹³C chemical shifts	303	152	50.2
¹⁵N chemical shifts	72	51	70.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	129	51	39.5
¹³C chemical shifts	130	100	76.9
¹⁵N chemical shifts	62	51	82.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	284	0	0.0
¹³C chemical shifts	173	52	30.1
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	0	0.0
¹³C chemical shifts	40	1	2.5

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 (0.639 seconds)

BMRB: 30663

Sample #1

Sample #2

Sample #3

Sample #4

Related entities 1. Cell division topological specificity factor, : 1 : 2 : 4 : 31 entities Detail

Experiments performed 12 experiments Detail

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Chemical shift validation 3 contents Detail