BMRBj - BMREntryMaster

Found 1 Document (1.302 seconds)

BMRB: 5792

8IWI

Assignment of the 1H, 15N and 13C resonances of E. coli frataxin orthologue, CyaY

Authors

Nair, M., Adinolfi, S., Kelly, G., Frenkiel, T., Pastore, A.

Assembly

CyaY

Entity

1. CyaY (polymer, Thiol state: all free), 109 monomers, 12416.45 Da Detail

GAMGNDSEFH RLADQLWLTI EERLDDWDGD SDIDCEINGG VLTITFENGS KIIINRQEPL HQVWLATKQG GYHFDLKGDE WICDRSGETF WDLLEQAATQ QAGETVSFR

Formula weight

12416.45 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.9 %, Completeness (bb): 95.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.9 % (1151 of 1253)	91.6 % (592 of 646)	91.3 % (441 of 483)	95.2 % (118 of 124)
Backbone	95.6 % (623 of 652)	93.9 % (214 of 228)	96.8 % (306 of 316)	95.4 % (103 of 108)
Sidechain	88.8 % (621 of 699)	90.4 % (378 of 418)	86.0 % (228 of 265)	93.8 % (15 of 16)
Aromatic	83.1 % (108 of 130)	92.3 % (60 of 65)	71.7 % (43 of 60)	100.0 % (5 of 5)
Methyl	90.9 % (100 of 110)	94.5 % (52 of 55)	87.3 % (48 of 55)

1. Escherichia coli CyaY

GAMGNDSEFH RLADQLWLTI EERLDDWDGD SDIDCEINGG VLTITFENGS KIIINRQEPL HQVWLATKQG GYHFDLKGDE WICDRSGETF WDLLEQAATQ QAGETVSFR

Show sample condition

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

LACS Plot; CA

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

Referencing offset: -0.34 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.34 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.0 ppm, Outliers: 2 Detail

Release date

2003-10-15

Citation 1

NMR assignment of the 1H, 15N and 13C resonances of the E. coli frataxin orthologue, CyaY
Nair, M., Adinolfi, S., Kelly, G., Frenkiel, T.A., Pastore, A.
J. Biomol. NMR (2003), 27, 403-404, PubMed 14512742 , DOI: , Abstract

Show more 2 citaions

Citation 2

The program XEASY for computer-supported NMR spectral analysis of biological macromolecules
J. Biomol. NMR (1995), 6, 1-10, PubMed 22911575 , DOI 10.1007/BF00417486 , Abstract

Citation 3

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , DOI 10.1007/bf00197809 , Abstract

Hide non-primary 2 citaions

Related entities 1. CyaY, : 1 : 14 : 125 entities Detail

Interaction partners 1. CyaY, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 11 experiments Detail

1 1H-1H-15N NOESY-HSQC

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

2 1H-1H-13C TOCSY-HSQC

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

3 3D HNHA

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

4 3D HNHB

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

5 3D HNCA

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

6 3D HN(CO)CA

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

7 3D HNC0

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

8 3D CBCA(CO)NH

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

9 1H-1H-13C HCCH-TOCSY

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

10 1H-1H-13C NOESY-HSQC

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

11 HCC(CO)NH

Instrument

#1 Model Varian UnityPlus (500 MHz)

#2 Model Varian Unity (600 MHz)

#3 Model Varian Inova (600 MHz)

#4 Model Varian Inova (800 MHz)

Sample #1

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	Escherichia coli CyaY	[U-15N]		1.0 ~ 2.0 mM

Sample #2

Temperature 298 (±1) K

#	Name	Isotope labeling	Type	Concentration
2	Escherichia coli CyaY	[U-13C; U-15N]		1.0 ~ 2.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5792_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: bmr5792_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	CSR1	Warning	1241		98.2 (chain: 1, length: 109)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: CSR1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 109, Sequence coverage: 98.2%
- Total number of assignments
  - ¹³C chemical shifts: 434
  - ¹⁵N chemical shifts: 116
  - ¹H chemical shifts: 691
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	483	434	89.9
¹⁵N chemical shifts	129	116	89.9
¹H chemical shifts	646	587	90.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	218	207	95.0
¹⁵N chemical shifts	108	101	93.5
¹H chemical shifts	228	211	92.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	265	227	85.7
¹⁵N chemical shifts	21	15	71.4
¹H chemical shifts	418	376	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	56	48	85.7
¹H chemical shifts	56	52	92.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	60	43	71.7
¹⁵N chemical shifts	5	5	100.0
¹H chemical shifts	65	60	92.3

Keywords Friedrich ataxia, frataxin, CyaY, Escherichia coli

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Found 1 Document (1.302 seconds)

BMRB: 5792

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CyaY, : 1 : 14 : 125 entities Detail

Interaction partners 1. CyaY, : 3 interactors Detail

Experiments performed 11 experiments Detail

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Chemical shift validation 3 contents Detail