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Found 1 Document (1.472 seconds)

BMRB: 5505

2GIM

Backbone Dynamics of Reduced Plastocyanin from the Cyanobacterium Anabaena variabilis: Regions Involved in Electron Transfer have Enhanched Mobility

Authors

Ma, L., Hass, M.A. S., Rasmussen, N., Kristensen, S.M., Ulstrup, J., Led, J.J.

Assembly

Cu (II) Plastocyanin from Anabaena Variabilis

Entity

1. Cu(II) Plastocyanin from Anabeana Variabilis (polymer, Thiol state: all other bound), 105 monomers, 11103.53 Da Detail

ETYTVKLGSD KGLLVFEPAK LTIKPGDTVE FLNNKVPPHN VVFDAALNPA KSADLAKSLS HKQLLMSPGQ STSTTFPADA PAGEYTFYCE PHRGAGMVGK ITVAG

2. COPPER (I) ION (non-polymer), 63.546 Da

Total weight

11167.076 Da

Max. entity weight

11103.53 Da

Entity Connection

na 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	2:CU11:CU	1:CYS89:SG

Source organism

Trichormus variabilis

Exptl. method

NMR

Data set

assigned_chemical_shifts, heteronucl_T1_relaxation, heteronucl_T2_relaxation, heteronucl_NOEs

Chem. Shift Complete1

Sequence coverage: 100.0 %, Completeness: 92.5 %, Completeness (bb): 95.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.5 % (1087 of 1175)	91.2 % (552 of 605)	92.7 % (434 of 468)	99.0 % (101 of 102)
Backbone	95.9 % (587 of 612)	98.1 % (206 of 210)	93.5 % (286 of 306)	99.0 % (95 of 96)
Sidechain	90.4 % (596 of 659)	87.6 % (346 of 395)	94.6 % (244 of 258)	100.0 % (6 of 6)
Aromatic	64.0 % (55 of 86)	60.5 % (26 of 43)	67.4 % (29 of 43)
Methyl	99.2 % (119 of 120)	98.3 % (59 of 60)	100.0 % (60 of 60)

1. Cu(II) Plastocyanin from Anabeana Variabilis

ETYTVKLGSD KGLLVFEPAK LTIKPGDTVE FLNNKVPPHN VVFDAALNPA KSADLAKSLS HKQLLMSPGQ STSTTFPADA PAGEYTFYCE PHRGAGMVGK ITVAG

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

Chem. Shift Complete2

Sequence coverage: 15.2 %, Completeness: 51.4 %, Completeness (bb): 54.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	51.4 % (1207 of 2350)	50.7 % (613 of 1210)	51.3 % (480 of 936)	55.9 % (114 of 204)
Backbone	54.0 % (661 of 1224)	55.2 % (232 of 420)	52.5 % (321 of 612)	56.3 % (108 of 192)
Sidechain	49.5 % (653 of 1318)	48.2 % (381 of 790)	51.6 % (266 of 516)	50.0 % (6 of 12)
Aromatic	32.0 % (55 of 172)	30.2 % (26 of 86)	33.7 % (29 of 86)
Methyl	54.2 % (130 of 240)	55.0 % (66 of 120)	53.3 % (64 of 120)

1. Cu(II) Plastocyanin from Anabeana Variabilis

ETYTVKLGSD KGLLVFEPAK LTIKPGDTVE FLNNKVPPHN VVFDAALNPA KSADLAKSLS HKQLLMSPGQ STSTTFPADA PAGEYTFYCE PHRGAGMVGK ITVAG

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Heteronucl. T₂

163 T₂ values in 1 lists
Coherence S(+,-), Field strength (¹H) 500 MHz, Temperature 298 (±0.1) K, pH 7.0 (±0.2) Detail

Heteronucl. NOE

163 NOE values in 1 lists
Value type relative intensities, Field strength (¹H) 500 MHz, Temperature 298 (±0.1) K, pH 7.0 (±0.2) Detail

Release date

2011-08-09

Citation 1

Backbone dynamics of reduced plastocyanin from the cyanobacterium Anabaena variabilis: regions involved in electron transfer have enhanced mobility
Ma, L., Hass, M.A.S., Vierick, N., Kristensen, S.M., Ulstrup, J., Led, J.J.
Biochemistry (2003), 42, 320-330, PubMed 12525159 , DOI 10.1021/bi020553h , Abstract

Show more 3 citaions

Citation 2

Solution structure of reduced plastocyanin from the blue-green alga Anabaena variabilis
Biochemistry (1996), 35, 7021-7031, PubMed 8679527 , DOI 10.1021/bi960621y , Abstract

Citation 3

Determination of the electron self-exchange rates of blue copper proteins by super-WEFT NMR spectroscopy
J. Biomol. NMR (2001), 19, 199-208, PubMed 11330808 , Abstract

Citation 4

A general method for determining the electron self-exchange rates of blue copper proteins by longitudinal NMR relaxation
J. Am. Chem. Soc. (2002), 124, 4093-4096, PubMed 11942848 , Abstract

Hide non-primary 3 citaions

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

  BMRB: 5858 released on 2004-02-11
    Title Characterization of us-ms Dynamics of Proteins Using a Combined Analysis of 15N NMR Relaxation and Chemical Shift: Conformational Exchange in Plastocyanin Induced by Histidine Protonations
  Swiss-Prot: P0C178 released on 2006-03-21
    Title PLAS_ANAVA Entity Plastocyanin

Related entities 1. Cu(II) Plastocyanin from Anabeana Variabilis, : 1 : 6 : 156 entities Detail

Interaction partners 1. Cu(II) Plastocyanin from Anabeana Variabilis, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 8 experiments Detail

1 2D 1H-15N HSQC

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

2 HSQC-TOCSY

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

3 HNCA

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

4 1H-13C HSQC

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

5 HSQC

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

6 HMQC-COSY

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

7 HNCO

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

8 3D TOCSY-HMQC

Instrument

#1 Model Varian UnityInova (500 MHz)

#2 Model Varian UnityInova (750 MHz)

#3 Model Bruker AMX (500 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.2), Details To maintain the protein in reduced form small amounts (0.6 - 0.7 mM) sodium ascorbate were added.

#	Name	Isotope labeling	Concentration
1	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	4.1 mM
2	COPPER (I) ION		4.1 mM
3	NaCl		100 mM
4	H2O		90 %
5	D2O		10 %
6	sodium ascorbate		0.6 ~ 0.7 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Concentration
7	Cu(II) Plastocyanin from Anabeana Variabilis	[U-95% 15N]	2.8 ~ 3.2 mM
8	COPPER (I) ION		2.8 ~ 3.2 mM
9	H2O		90 %
10	D2O		10 %

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts, Heteronucl NOE exptl data, Heteronucl T1 relaxation data, Heteronucl T2 relaxation data	bmr5505_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	Warning

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)
2:1:CU1:CU	1:89:CYS:SG	unknown	oxidized 66.1%, reduced 33.9%, CA 56.9, CB 33.4 ppm	n/a

Non-standard residues

None

Content subtype: bmr5505_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	chemshift_1	Warning	1201	100.0 (chain: 1, length: 105)
2	Assigned chemical shifts	chemshift_2	OK	5	No information
1	Chemical shift references	chemical_shift_reference	OK	3	No information

Assigned chemical shifts

Saveframe: chemshift_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 105, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 671
  - ¹³C chemical shifts: 427
  - ¹⁵N chemical shifts: 103
- 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
Saveframe: chemshift_2
- Status: OK
- Total number of assignments
  - ¹³C chemical shifts: 2
  - ¹H chemical shifts: 2
  - ¹⁵N chemical shifts: 1
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
39	HIS	HD1	7.5
39	HIS	HE2	11.52
39	HIS	NE2	165.0
60	SER	HG	5.8
61	HIS	HD1	6.76
85	TYR	HH	9.54
92	HIS	HD1	7.12

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	605	545	90.1
¹³C chemical shifts	468	427	91.2
¹⁵N chemical shifts	103	102	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	210	208	99.0
¹³C chemical shifts	210	188	89.5
¹⁵N chemical shifts	96	95	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	395	337	85.3
¹³C chemical shifts	258	239	92.6
¹⁵N chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	62	60	96.8
¹³C chemical shifts	62	61	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	24	55.8
¹³C chemical shifts	43	25	58.1

Keywords A.v. PCu, chemical shift, NMR, relaxation, dynamics, electron transfer

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Found 1 Document (1.472 seconds)

BMRB: 5505

Sample #1

Sample #2

Sample

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

Related entities 1. Cu(II) Plastocyanin from Anabeana Variabilis, : 1 : 6 : 156 entities Detail

Interaction partners 1. Cu(II) Plastocyanin from Anabeana Variabilis, : 1 interactors Detail

Experiments performed 8 experiments Detail

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Sample #2

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Chemical shift validation 5 contents Detail