BMRBj - BMREntryMaster

Found 1 Document (1.489 seconds)

BMRB: 6195

1T3K

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Arath;CDC25; a dual-specificity tyrosine phosphatase from Arabidopsis thaliana

Authors

Landrieu, I., Wieruszeski, J., Hassan, S., Lippens, G.

Assembly

Arath;CDC25

Entity

1. Dual-specificity tyrosine phosphatase (polymer, Thiol state: free and other bound), 132 monomers, 14746.66 Da Detail

MAMARSISYI TSTQLLPLHR RPNIAIIDVR DEERNYDGHI AGSLHYASGS FDDKISHLVQ NVKDKDTLVF HSALSQVRGP TCARRLVNYL DEKKEDTGIK NIMILERGFN GWEASGKPVC RCAEVPCKGD CA

2. ZN (non-polymer), 65.409 Da

Total weight

14812.069 Da

Max. entity weight

14746.66 Da

Entity Connection

na 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS120:SG	2:ZN1:ZN
2	na	sing	1:CYS122:SG	2:ZN1:ZN
3	na	sing	1:CYS127:SG	2:ZN1:ZN
4	na	sing	1:HIS39:ND2	2:ZN1:ZN

Source organism

Arabidopsis thaliana

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 70.9 %, Completeness (bb): 94.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	70.9 % (1067 of 1505)	67.5 % (529 of 784)	70.2 % (410 of 584)	93.4 % (128 of 137)
Backbone	94.4 % (738 of 782)	94.8 % (254 of 268)	92.5 % (358 of 387)	99.2 % (126 of 127)
Sidechain	51.3 % (434 of 846)	53.3 % (275 of 516)	49.1 % (157 of 320)	20.0 % (2 of 10)
Aromatic	16.0 % (15 of 94)	31.9 % (15 of 47)	0.0 % (0 of 46)	0.0 % (0 of 1)
Methyl	62.7 % (89 of 142)	74.6 % (53 of 71)	50.7 % (36 of 71)

1. Dual-specificity tyrosine phosphatase

MAMARSISYI TSTQLLPLHR RPNIAIIDVR DEERNYDGHI AGSLHYASGS FDDKISHLVQ NVKDKDTLVF HSALSQVRGP TCARRLVNYL DEKKEDTGIK NIMILERGFN GWEASGKPVC RCAEVPCKGD CA

Show sample condition

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	d4-TSPA	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.06 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	d4-TSPA	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 0.06 ppm, Outliers: 3 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	d4-TSPA	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: -0.12 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	d4-TSPA	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495

Referencing offset: 1.47 ppm, Outliers: 3 Detail

Release date

2004-09-06

Citation

A small CDC25 dual-specificity tyrosine-phosphatase isoform in Arabidopsis thaliana
Landrieu, I., Da Costa, M., De Veylder, L., Dewitte, F., Vandepoele, K., Hassan, S., Wieruszeski, J., Faure, J.D., Von Montagu, M., Inze, D., Lippens, G.
Proc. Natl. Acad. Sci. U. S. A. (2004), 101, 13380-13385, PubMed 15329414 , DOI 10.1073/pnas.0405248101 , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 6196 released on 2004-09-06
    Title Backbone 1H, 13C, and 15N Chemical Shift Assignments for Arath;CDC25; a dual-specificity tyrosine phosphatase from Arabidopsis thaliana
  Swiss-Prot: Q8GY31 released on 2005-03-29
    Title CDC25_ARATH Entity Dual specificity phosphatase Cdc25

Related entities 1. Dual-specificity tyrosine phosphatase, : 1 : 2 : 41 entities Detail

Interaction partners 1. Dual-specificity tyrosine phosphatase, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 6 experiments Detail

1 1H-15N NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

2 1H-13C NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

3 HNCA

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

4 HNCO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

5 HN(CA)CO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

6 CBCANH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker Avance (800 MHz)

Sample #1

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Dual-specificity tyrosine phosphatase	[U-90% 15N]		400 uM

Sample #2

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Dual-specificity tyrosine phosphatase	[U-95% 13C; U-90% 15N]		400 uM

Sample #3

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	Dual-specificity tyrosine phosphatase	[U-95% 13C]		400 uM

Sample #4

Temperature 293 (±1) K, pH 7.6 (±0.2)

#	Name	Isotope labeling	Type	Concentration
4	Dual-specificity tyrosine phosphatase	[15N]-Lys		250 uM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6195_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	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Error

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:120:CYS:SG	2:1:ZN:ZN	reduced, CA 59.68, CB 30.5 ppm	unknown	n/a
1:122:CYS:SG	2:1:ZN:ZN	reduced, CA 61.04, CB 28.77 ppm	unknown	n/a
1:127:CYS:SG	2:1:ZN:ZN	reduced, CA 61.58, CB 28.86 ppm	unknown	n/a
1:39:HIS:ND2	2:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

None

Content subtype: bmr6195_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	Arath;CDC25C72S_shift_set_1	Warning	1146		100.0 (chain: 1, length: 132)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: Arath;CDC25C72S_shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 132, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 392
  - ¹H chemical shifts: 627
  - ¹⁵N chemical shifts: 127
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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)
19	HIS	HD1	6.92
45	HIS	HD1	6.72
57	HIS	HD1	7.11

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	584	392	67.1
¹H chemical shifts	784	516	65.8
¹⁵N chemical shifts	147	127	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	264	253	95.8
¹H chemical shifts	268	255	95.1
¹⁵N chemical shifts	127	125	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	320	139	43.4
¹H chemical shifts	516	261	50.6
¹⁵N chemical shifts	20	2	10.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	74	29	39.2
¹H chemical shifts	74	54	73.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	46	0	0.0
¹H chemical shifts	47	13	27.7
¹⁵N chemical shifts	1	0	0.0

Keywords CDC25, cell cycle, zinc binding loop, phosphorylation, plant

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Found 1 Document (1.489 seconds)

BMRB: 6195

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

Related entities 1. Dual-specificity tyrosine phosphatase, : 1 : 2 : 41 entities Detail

Interaction partners 1. Dual-specificity tyrosine phosphatase, : 1 interactors Detail

Experiments performed 6 experiments Detail

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Chemical shift validation 4 contents Detail