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Found 1 Document (3.316 seconds)

BMRB: 4425

3BDO

Solution structure of apo-biotinyl domain from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance NMR spectroscopy

Authors

ROBERTS, E.L., SHU, N., HOWARD, M.J., BROADHURST, R.W., CHAPMAN-SMITH, A., WALLACE, J.C., MORRIS, T., CRONAN, J.E., PERHAM, R.N.

Assembly

ACETYL-COA CARBOXYLASE

Entity

1. ACETYL-COA CARBOXYLASE (polymer, Thiol state: all free), 82 monomers, 8834.104 Da Detail

AAEISGHIVR SPMVGTFYRT PSPDAKAFIE VGQKVNVGDT LCIVEAMKMM NQIEADKSGT VKAILVESGQ PVEFDEPLVV IE

Formula weight

8834.104 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.6 %, Completeness (bb): 82.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.6 % (799 of 923)	92.4 % (440 of 476)	75.9 % (277 of 365)	100.0 % (82 of 82)
Backbone	82.6 % (398 of 482)	97.0 % (160 of 165)	67.1 % (161 of 240)	100.0 % (77 of 77)
Sidechain	91.5 % (473 of 517)	90.0 % (280 of 311)	93.5 % (188 of 201)	100.0 % (5 of 5)
Aromatic	90.5 % (38 of 42)	85.7 % (18 of 21)	95.2 % (20 of 21)
Methyl	97.2 % (103 of 106)	96.2 % (51 of 53)	98.1 % (52 of 53)

1. ACETYL-COA CARBOXYLASE

AAEISGHIVR SPMVGTFYRT PSPDAKAFIE VGQKVNVGDT LCIVEAMKMM NQIEADKSGT VKAILVESGQ PVEFDEPLVV IE

Show sample condition

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 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: -0.27 ppm, Outliers: 1 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: -0.27 ppm, Outliers: 1 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: -0.04 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 3BDO, Strand ID: A Detail

Release date

1999-12-22

Citation

SOLUTION STRUCTURES OF APO- AND HOLO-BIOTINYL DOMAINS FROM ACETYL COENZYME A CARBOXYLASE OF ESCHERICHIA COLI DETERMINED BY TRIPLE-RESONANCE NMR SPECTROSCOP
ROBERTS, E.L., SHU, N., HOWARD, M.J., BROADHURST, R.W., CHAPMAN-SMITH, A., WALLACE, J.C., MORRIS, T., CRONAN, J.E., PERHAM, R.N.
Biochemistry (1999), 38, 5045-5053, PubMed , DOI:

Related entities 1. ACETYL-COA CARBOXYLASE, : 1 : 4 : 2 : 103 entities Detail

Experiments performed 10 experiments Detail

1 DQF-COSY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

2 NOESY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

3 15N-1H-HSQC

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

4 HNHA

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

5 HNHB

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

6 15N-NOESY-HMQC

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

7 15N-TOCSY-HMQC

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

8 HNCACB

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

9 13C-NOESY-HSQC

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

10 HCCH-TOCSY

Instrument

#1 Model Bruker AMX (500 MHz)

#2 Model Bruker AMX (600 MHz)

Sample #1

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE	[U-100% 13C; U-100% 15N]		3.0 mM
2	sodium phosphate			20 mM

Sample #2

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
3	ACETYL-COA CARBOXYLASE	[U-100% 15N]		3.0 mM
4	sodium phosphate			20 mM

Sample #3

Pressure 1 atm, Temperature 303 (±1) K, pH 6.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
5	ACETYL-COA CARBOXYLASE			3.0 mM
6	sodium phosphate			20 mM

nullKeywords BIOTIN, BIOTINYL DOMAIN, ACETYL COA CARBOXYLASE, SWINGING ARM, NMR SPECTROSCOPY, PROTEIN STRUCTURE

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Found 1 Document (3.316 seconds)

BMRB: 4425

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ACETYL-COA CARBOXYLASE, : 1 : 4 : 2 : 103 entities Detail

Experiments performed 10 experiments Detail

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