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Found 1 Document (2.174 seconds)

BMRB: 6790

2FVF

Solution Structure of Stearoyl-ACP from Spinach

Authors

Zornetzer, G.A., Fox, B.G., Markley, J.L.

Assembly

18:0 ACP from spinach

Entity

1. Spinach Acyl Carrier Protein (polymer, Thiol state: not present), 82 monomers, 8835.805 Da Detail

AKKETIDKVS DIVKEKLALG ADVVVTADSE FSKLGADSLD TVEIVMNLEE EFGINVDEDK AQDISTIQQA ADVIEGLLEK KA

2. PNS (non-polymer), 358.348 Da
3. STE (non-polymer), 284.477 Da

Total weight

9478.629 Da

Max. entity weight

8835.805 Da

Entity Connection

thioester 1, phosphodiester 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	phosphodiester	sing	1:SER38:OG	2:PNS1:P24
2	thioester	sing	2:PNS1:S44	3:STE1:C1

Exptl. method

NMR

Refine. method

Initial structure from torsion angle dynamics (in CYANA). Fatty acid and phosphopantetheine were added and docked using ambiguous distance restraints in XPLOR-NIH

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.3 %, Completeness: 88.1 %, Completeness (bb): 89.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.1 % (805 of 914)	89.6 % (420 of 469)	84.1 % (301 of 358)	96.6 % (84 of 87)
Backbone	89.4 % (440 of 492)	92.3 % (155 of 168)	85.5 % (207 of 242)	95.1 % (78 of 82)
Sidechain	86.8 % (434 of 500)	88.0 % (265 of 301)	84.5 % (164 of 194)	100.0 % (5 of 5)
Aromatic	40.0 % (8 of 20)	80.0 % (8 of 10)	0.0 % (0 of 10)
Methyl	89.8 % (106 of 118)	91.5 % (54 of 59)	88.1 % (52 of 59)

1. Spinach Acyl Carrier Protein

AKKETIDKVS DIVKEKLALG ADVVVTADSE FSKLGADSLD TVEIVMNLEE EFGINVDEDK AQDISTIQQA ADVIEGLLEK KA

Show sample condition

Sample #1

Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

Sample #2

Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 15N labeled ACP with attached 4' phosphopantetheine and stearate at high concentration

#	Name	Isotope labeling	Type	Concentration
6	Spinach Acyl Carrier Protein	[U-15N]	protein	2 (±0.2) mM
7	Phosphopantetheine			2 mM
8	Stearate			2 mM
9	MES pH 6.1		buffer	5 (±0.2) mM
10	NaCl		salt	100 (±1.0) mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2FVF, Strand ID: A Detail

Release date

2007-01-28

Citation

Solution structures of spinach acyl carrier protein with decanoate and stearate
Zornetzer, G.A., Fox, B.G., Markley, J.L.
Biochemistry (2006), 45, 5217-5227, PubMed 16618110 , DOI 10.1021/bi052062d , Abstract

Related entities 1. Spinach Acyl Carrier Protein, : 1 : 3 : 3 : 224 entities Detail

Interaction partners 1. Spinach Acyl Carrier Protein, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 1H15N_HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

2 1H13C_HSQC

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

3 HNCO

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

4 TOCSY-15N_HSQC

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 15N labeled ACP with attached 4' phosphopantetheine and stearate at high concentration

#	Name	Isotope labeling	Type	Concentration
6	Spinach Acyl Carrier Protein	[U-15N]	protein	2 (±0.2) mM
7	Phosphopantetheine			2 mM
8	Stearate			2 mM
9	MES pH 6.1		buffer	5 (±0.2) mM
10	NaCl		salt	100 (±1.0) mM

5 NOESY-15N_HSQC

Instrument

Bruker DMX - 600 MHz Cryoprobe system

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 15N labeled ACP with attached 4' phosphopantetheine and stearate at high concentration

#	Name	Isotope labeling	Type	Concentration
6	Spinach Acyl Carrier Protein	[U-15N]	protein	2 (±0.2) mM
7	Phosphopantetheine			2 mM
8	Stearate			2 mM
9	MES pH 6.1		buffer	5 (±0.2) mM
10	NaCl		salt	100 (±1.0) mM

6 HNCACB

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

7 HNCA

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

8 CBCA(CO)NH

Instrument

Bruker DMX - 750 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

9 HCAN

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

10 HCA(CO)N

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

11 H(CCO)NH

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

12 C(CO)NH

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

13 HCCH_TOCSY

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

14 NOESY-13C_HSQC

Instrument

Varian Inova - 600 MHz Cold Probe installed

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

15 null

16 f1 filtered 1H NOESY

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

17 f1 filtered NOESY 15N HSQC

Instrument

Bruker DMX - 500 MHz

Sample

State isotropic, Temperature 287 (±0.1) K, pH 6.1 (±0.01), Details 13C/15N labeled ACP with attached 4' phosphopantetheine and stearate

#	Name	Isotope labeling	Type	Concentration
1	Spinach Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.2) mM
2	Phosphopantetheine			2 mM
3	Stearate			2 mM
4	MES pH 6.1		buffer	5 (±0.2) mM
5	NaCl		salt	100 (±1.0) mM

null

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Found 1 Document (2.174 seconds)

BMRB: 6790

Sample #1

Sample #2

Related entities 1. Spinach Acyl Carrier Protein, : 1 : 3 : 3 : 224 entities Detail

Interaction partners 1. Spinach Acyl Carrier Protein, : 1 interactors Detail

Experiments performed 17 experiments Detail

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