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Found 1 Document (1.753 seconds)

BMRB: 6333

2XV9

1H, 13C, and 15N chenical shift assignments for ABA-1A with oleic acid bound

Authors

Meenan, N.A.G., Cooper, A., Kennedy, M.W., Smith, B.O.

Assembly

ABA-1A with oleic acid

Entity

1. ABA-1A (polymer, Thiol state: all disulfide bound), 134 monomers, 15159.97 Da Detail

GSPEFHHFTL ESSLDTHLKW LSQEQKDELL KMKKDGKAKK ELEAKILHYY DELEGDAKKE ATEHLKGGCR EILKHVVGEE KAAELKNLKD SGASKEELKA KVEEALHAVT DEEKKQYIAD FGPACKKIYG VHTS

2. OLEIC ACID (non-polymer), 282.461 Da

Total weight

15442.431 Da

Max. entity weight

15159.97 Da

Source organism

Ascaris suum

Exptl. method

NMR

Refine. method

DEFAULT

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.8 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	82.8 % (1317 of 1590)	87.0 % (727 of 836)	74.7 % (461 of 617)	94.2 % (129 of 137)
Backbone	82.4 % (659 of 800)	95.3 % (262 of 275)	69.7 % (274 of 393)	93.2 % (123 of 132)
Sidechain	83.7 % (766 of 915)	81.6 % (458 of 561)	86.8 % (303 of 349)	100.0 % (5 of 5)
Aromatic	56.6 % (60 of 106)	56.6 % (30 of 53)	55.8 % (29 of 52)	100.0 % (1 of 1)
Methyl	91.5 % (119 of 130)	93.8 % (61 of 65)	89.2 % (58 of 65)

1. ABA-1A

GSPEFHHFTL ESSLDTHLKW LSQEQKDELL KMKKDGKAKK ELEAKILHYY DELEGDAKKE ATEHLKGGCR EILKHVVGEE KAAELKNLKD SGASKEELKA KVEEALHAVT DEEKKQYIAD FGPACKKIYG VHTS

Show sample condition

Sample

Temperature 308 (±0.2) K, Details The ligand was added as a solution in ethanol which was partially immiscible with the aquaous protein solution. The protein is undoubtedly saturated, and oleic acid has very low solubility in water.

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	direct	1.0
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	NH3	nitrogen	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	direct	1.0
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	NH3	nitrogen	internal	indirect	0.1013291

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	internal	direct	1.0
¹H	DSS	methyl protons	internal	indirect	1.0
¹⁵N	NH3	nitrogen	internal	indirect	0.1013291

Referencing offset: 0.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2XV9, Strand ID: A Detail

Release date

2004-09-29

Citation

Resonance assignment of ABA-1A, from Ascaris suum nematode polyprotein allergen
Meenan, N.A.G., Cooper, A., Kennedy, M.W., Smith, B.O.
J. Biomol. NMR (2005), 32, 176-176, PubMed 16034670 , DOI 10.1007/s10858-005-6070-9 , Abstract

Related entities 1. ABA-1A, : 1 : 8 : 17 entities Detail

Experiments performed 16 experiments Detail

1 15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Temperature 308 (±0.2) K, Details The ligand was added as a solution in ethanol which was partially immiscible with the aquaous protein solution. The protein is undoubtedly saturated, and oleic acid has very low solubility in water.

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

2 13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

3 CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

4 HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

5 HNCO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

6 HNCACO

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

7 (H)CCONH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

8 H(C)CONH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

9 HBHA(CBCA)NH

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

10 Me-CC-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

11 Me-HCC-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

12 HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

13 HBCBCGCDHD

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

14 HBCBCGCDCEHE

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

15 15N-NOESY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

16 13C-NOESY

Instrument

Bruker Avance - 600 MHz

Sample

#	Name	Isotope labeling	Concentration
1	ABA-1A	[U-15N; U-13C]	2 mM
2	OLEIC ACID		2 mM
3	phosphate buffer		50 mM
4	sodium chloride		50 mM

null

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Found 1 Document (1.753 seconds)

BMRB: 6333

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. ABA-1A, : 1 : 8 : 17 entities Detail

Experiments performed 16 experiments Detail

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