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Found 1 Document (1.735 seconds)

BMRB: 4083

6TG7

Assignments, Secondary Structure, Global Fold, and Dynamics of Chemotaxis Y Protein Using Three- and Four-Dimensional Heteronuclear (13C, 15N) NMR Spectroscopy

Authors

Moy, F.L., Lowry, D.F., Matsumura, P., Dahlquist, F.W., Krywko, J.E., Domaille, P.J.

Assembly

CheY

Entity

1. E. coli CheY (polymer, Thiol state: not present), 128 monomers, 13966.01 Da Detail

ADKELKFLVV DDFSTMRRIV RNLLKELGFN NVEEAEDGVD ALNKLQAGGY GFVISDWNMP NMDGLELLKT IRADGAMSAL PVLMVTAEAK KENIIAAAQA GASGYVVKPF TAATLEEKLN KIFEKLGM

Formula weight

13966.01 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 87.3 %, Completeness (bb): 82.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.3 % (1287 of 1475)	94.8 % (722 of 762)	75.6 % (436 of 577)	94.9 % (129 of 136)
Backbone	82.8 % (631 of 762)	96.6 % (254 of 263)	69.0 % (258 of 374)	95.2 % (119 of 125)
Sidechain	92.9 % (772 of 831)	93.8 % (468 of 499)	91.6 % (294 of 321)	90.9 % (10 of 11)
Aromatic	92.0 % (81 of 88)	97.7 % (43 of 44)	86.0 % (37 of 43)	100.0 % (1 of 1)
Methyl	97.0 % (161 of 166)	97.6 % (81 of 83)	96.4 % (80 of 83)

1. E. coli CheY

ADKELKFLVV DDFSTMRRIV RNLLKELGFN NVEEAEDGVD ALNKLQAGGY GFVISDWNMP NMDGLELLKT IRADGAMSAL PVLMVTAEAK KENIIAAAQA GASGYVVKPF TAATLEEKLN KIFEKLGM

Show sample condition

Sample

Temperature 303 K, pH 6.75 (±0.05)

#	Name	Isotope labeling	Concentration
13	E. coli CheY	[U-13C; U-15N]	1.0 ~ 4.0 mM
14	sodium phosphate		100 mM
15	magnesium chloride		4.0 ~ 5.0 mM
16	sodium azide		0.02 %
17	D2O		99.8 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	TSP	methyl carbons	external	null
¹H	TSP	methyl protons	external	null
¹⁵N	liquid ammonia	nitrogen	external	null

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	TSP	methyl carbons	external	null
¹H	TSP	methyl protons	external	null
¹⁵N	liquid ammonia	nitrogen	external	null

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type
¹³C	TSP	methyl carbons	external	null
¹H	TSP	methyl protons	external	null
¹⁵N	liquid ammonia	nitrogen	external	null

Referencing offset: -0.07 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 46 models in PDB: 1CEY, Strand ID: A Detail

Release date

2001-02-16

Citation

Assignments, Secondary Structure, Global Fold, and Dynamics of Chemotaxis Y Protein Using Three- and Four-Dimensional Heteronuclear (13C, 15N) NMR Spectroscopy
Moy, F.L., Lowry, D.F., Matsumura, P., Dahlquist, F.W., Krywko, J.E., Domaille, P.J.
Biochemistry (1994), 33, 10731-10742

Related entities 1. E. coli CheY, : 1 : 17 : 9 : 25 : 249 entities Detail

Interaction partners 1. E. coli CheY, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 1 experiments Detail

#	Name	Isotope labeling	Concentration
1	E. coli CheY	[U-15N]	1.0 ~ 4.0 mM
2	sodium phosphate		100 mM
3	magnesium chloride		4.0 ~ 5.0 mM
4	sodium azide		0.02 %
5	D2O		10 %
6	H2O		90 %

#	Name	Isotope labeling	Concentration
7	E. coli CheY	[U-13C; U-15N]	1.0 ~ 4.0 mM
8	sodium phosphate		100 mM
9	magnesium chloride		4.0 ~ 5.0 mM
10	sodium azide		0.02 %
11	D2O		10 %
12	H2O		90 %

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4083_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: bmr4083_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment	Warning	1436		99.2 (chain: 1, length: 128)
1	Chemical shift references	chem_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: chemical_shift_assignment
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 128, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 886
  - ¹³C chemical shifts: 423
  - ¹⁵N chemical shifts: 127
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
57	TRP	CD2	126.6
57	TRP	CE2	118.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	758	722	95.3
¹³C chemical shifts	574	421	73.3
¹⁵N chemical shifts	139	127	91.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	261	254	97.3
¹³C chemical shifts	254	127	50.0
¹⁵N chemical shifts	124	117	94.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	497	468	94.2
¹³C chemical shifts	320	294	91.9
¹⁵N chemical shifts	15	10	66.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	82	92.1
¹³C chemical shifts	89	80	89.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	43	97.7
¹³C chemical shifts	43	37	86.0
¹⁵N chemical shifts	1	1	100.0

Keywords chemotaxis Y protein, CheY, NMR, nuclear magnetic resonance

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Found 1 Document (1.735 seconds)

BMRB: 4083

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. E. coli CheY, : 1 : 17 : 9 : 25 : 249 entities Detail

Interaction partners 1. E. coli CheY, : 1 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample #1

Sample #2

Sample #3

Chemical shift validation 4 contents Detail