BMRBj - BMREntryMaster

Found 1 Document (0.396 seconds)

BMRB: 26534

Backbone and side chain 1H, 13C, and 15N chemical shift assignments for Extracellular Loop 1 (ECL1) of FtsX in Streptococcus pneumoniae

Authors

Fu, Y., Giedroc, D.

Assembly

FtsXECL1 monomer

Entity

1. FtsXECL1 monomer (polymer, Thiol state: not present), 126 monomers, 13998.27 Da Detail

GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGA

Formula weight

13998.27 Da

Source organism

Streptococcus pneumoniae D39

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 92.2 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.2 % (1314 of 1425)	88.5 % (651 of 736)	98.4 % (541 of 550)	87.8 % (122 of 139)
Backbone	97.6 % (734 of 752)	96.5 % (248 of 257)	98.4 % (365 of 371)	97.6 % (121 of 124)
Sidechain	88.3 % (699 of 792)	84.1 % (403 of 479)	99.0 % (295 of 298)	6.7 % (1 of 15)
Aromatic	96.4 % (81 of 84)	97.6 % (41 of 42)	95.1 % (39 of 41)	100.0 % (1 of 1)
Methyl	98.6 % (138 of 140)	98.6 % (69 of 70)	98.6 % (69 of 70)

1. FtsXECL1

GAMATAKLAT DIENNVRVVV YIRKDVEDNS QTIEKEGQTV TNNDYHKVYD SLKNMSTVKS VTFSSKEEQY EKLTEIMGDN WKIFEGDANP LYDAYIVEAN APNDVKTIAE DAKKIEGVSE VQDGGA

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.783 ppm	internal	indirect	0.2514495
¹H	water	protons	4.783 ppm	internal	direct	1.0
¹⁵N	water	protons	4.783 ppm	internal	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.783 ppm	internal	indirect	0.2514495
¹H	water	protons	4.783 ppm	internal	direct	1.0
¹⁵N	water	protons	4.783 ppm	internal	indirect	0.1013291

Referencing offset: -0.08 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.783 ppm	internal	indirect	0.2514495
¹H	water	protons	4.783 ppm	internal	direct	1.0
¹⁵N	water	protons	4.783 ppm	internal	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.783 ppm	internal	indirect	0.2514495
¹H	water	protons	4.783 ppm	internal	direct	1.0
¹⁵N	water	protons	4.783 ppm	internal	indirect	0.1013291

Referencing offset: 0.27 ppm, Outliers: 3 Detail

Release date

2016-01-05

Citation

¹H, ¹³C, ¹⁵N resonance assignments of the extracellular loop 1 domain (ECL1) of Streptococcus pneumoniae D39 FtsX, an essential cell division protein
Fu, Y., Bruce, K.E., Rued, B., Winkler, M.E., Giedroc, D.P.
Biomol. NMR Assign. (2015), 10, 89-92, PubMed 26370567 , DOI 10.1007/s12104-015-9644-9 , Abstract

Related entities 1. FtsXECL1 monomer, : 1 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

3 2D 1H-13C HSQC aromatic

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

4 3D CBCA(CO)NH

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

5 3D C(CO)NH

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

6 3D HNCO

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

7 3D HNCA

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

8 3D HNCACB

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

9 3D HN(CO)CA

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

10 3D H(CCO)NH

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

11 3D HCCH-TOCSY

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

12 3D HCCH-COSY

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

13 3D 1H-15N NOESY

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
2	H2O	natural abundance	90 %
3	D2O	[U-99% 2H]	10 %
4	potassium phosphate	natural abundance	50 mM
5	sodium chloride	natural abundance	50 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

15 3D 1H-13C NOESY aromatic

Instrument

Varian DDR - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
6	FtsXECL1	[U-99% 13C; U-99% 15N]	0.5 ~ 0.7 mM
7	D2O	[U-99% 2H]	100 %
8	potassium phosphate	natural abundance	50 mM
9	sodium chloride	natural abundance	50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr26534_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: bmr26534_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1448		99.2 (chain: 1, length: 126)
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: 126, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 786
  - ¹³C chemical shifts: 540
  - ¹⁵N chemical shifts: 122
- 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	479	394	82.3
¹³C chemical shifts	298	294	98.7
¹⁵N chemical shifts	17	1	5.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	736	646	87.8
¹³C chemical shifts	550	540	98.2
¹⁵N chemical shifts	141	122	86.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	257	252	98.1
¹³C chemical shifts	252	246	97.6
¹⁵N chemical shifts	124	121	97.6

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.396 seconds)

BMRB: 26534

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. FtsXECL1 monomer, : 1 entities Detail

Experiments performed 15 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail