BMRB: 4426

Solution Structure of Holo-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: not reported), 82 monomers, 8834.104 Da Detail

AAEISGHIVR SPMVGTFYRT PSPDAKAFIE VGQKVNVGDT LCIVEAMKMM NQIEADKSGT VKAILVESGQ PVEFDEPLVV IE

2. BIOTIN (non-polymer), 244.311 Da

Total weight

9078.414 Da

Max. entity weight

8834.104 Da

Entity Connection

covalent 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:LYS48:NZ	2:BTN1:C11

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.6 %, Completeness (bb): 82.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.6 % (799 of 923)	92.2 % (439 of 476)	76.2 % (278 of 365)	100.0 % (82 of 82)
Backbone	82.8 % (399 of 482)	97.6 % (161 of 165)	67.1 % (161 of 240)	100.0 % (77 of 77)
Sidechain	91.7 % (474 of 517)	89.4 % (278 of 311)	95.0 % (191 of 201)	100.0 % (5 of 5)
Aromatic	95.2 % (40 of 42)	95.2 % (20 of 21)	95.2 % (20 of 21)
Methyl	89.6 % (95 of 106)	81.1 % (43 of 53)	98.1 % (52 of 53)

1. ACETYL-COA CARBOXYLASE

AAEISGHIVR SPMVGTFYRT PSPDAKAFIE VGQKVNVGDT LCIVEAMKMM NQIEADKSGT VKAILVESGQ PVEFDEPLVV IE

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	ACETYL-COA CARBOXYLASE			3.0 mM

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LACS Plot; CA

Referencing offset: -0.22 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.22 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 23 models in PDB: 2BDO, Strand ID: A Detail

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Release date

1999-09-29

Citation

Solution structures of apo and holo biotinyl domains from acetyl coenzyme A carboxylase of Escherichia coli determined by triple-resonance nuclear magnetic resonance spectroscopy
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 10213607 , DOI 10.1021/bi982466o , Abstract

Related entities 1. ACETYL-COA CARBOXYLASE, : 1 : 5 : 1 : 103 entities Detail

Experiments performed 10 experiments Detail