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Found 1 Document (1.273 seconds)

BMRB: 4449

1C8A

Backbone 1H, 13C, and 15N Chemical Shift Assignments for Intramolecular Dimer Antifreeze Protein RD

Authors

Miura, K., Ohgiya, S., Hoshino, T., Nemoto, N., Nitta, K., Tsuda, S.

Assembly

antifreeze protein type III intramolecular dimer RD3

Entity

1. antifreeze protein type III intramolecular dimer RD3 (polymer, Thiol state: not present), 134 monomers, 14479.95 Da Detail

NKASVVANQL IPINTALTLI MMKAEVVTPM GIPAEEIPNL VGMQVNRAVP LGTTLMPDMV KNYEDGTTSP GLKSVVANQL IPINTALTLV MMKAEEVSPK GIPSEEISKL VGMQVNRAVY LDQTLMPDMV KNYE

Formula weight

14479.95 Da

Source organism

Pachycara brachycephalum

Exptl. method

NMR

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 76.7 %, Completeness (bb): 83.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	76.7 % (1176 of 1534)	93.8 % (746 of 795)	48.6 % (292 of 601)	100.0 % (138 of 138)
Backbone	83.4 % (652 of 782)	96.6 % (255 of 264)	69.4 % (274 of 395)	100.0 % (123 of 123)
Sidechain	73.8 % (649 of 879)	92.5 % (491 of 531)	42.9 % (143 of 333)	100.0 % (15 of 15)
Aromatic	50.0 % (12 of 24)	100.0 % (12 of 12)	0.0 % (0 of 12)
Methyl	58.9 % (113 of 192)	97.9 % (94 of 96)	19.8 % (19 of 96)

1. antifreeze protein type III

NKASVVANQL IPINTALTLI MMKAEVVTPM GIPAEEIPNL VGMQVNRAVP LGTTLMPDMV KNYEDGTTSP GLKSVVANQL IPINTALTLV MMKAEEVSPK GIPSEEISKL VGMQVNRAVY LDQTLMPDMV KNYE

Show sample condition

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

LACS Plot; CA

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.26 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.02 ppm, Outliers: 1 Detail

Coupling constant

80 J values in 1 lists
Temperature 277 (±1) K, pH 6.8 (±0.1) Detail

Release date

2000-03-21

Citation 1

Assignments of 1H, 13C, and 15N resonances of intramolecular dimer antifreeze protein RD3
Miura, K., Ohgiya, S., Hoshino, T., Nemoto, N., Nitta, K., Tsuda, S.
J. Biomol. NMR (2000), 16, 273-274, PubMed 10805136 , DOI: , Abstract

Show more 1 citaion

Citation 2

Determination of the solution structure of the N-domain plus linker of Antarctic eel pout antifreeze protein RD3
Miura, K., Ohgiya, S., Hoshino, T., Nemoto, N., Odaira, M., Nitta, K., Tsuda, S.
J. Biochem. (1999), 126, 387-394, PubMed 10423534 , DOI: , Abstract

Hide non-primary 1 citaion

Related entities 1. antifreeze protein type III intramolecular dimer RD3, : 1 : 2 : 1 entities Detail

Experiments performed 8 experiments Detail

1 1H-15N NOESY

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

2 1H-15N TOCSY

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

3 HNCA

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

4 HNCACB

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

5 CBCA(CO)NH

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

6 HCCH-TOCSY

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

7 C(CO)NH

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

8 HC(CO)NH

Instrument

Model Varian Unity (500 MHz)

Sample #1

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	antifreeze protein type III			1.0 mM

Sample #2

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	antifreeze protein type III	[U-90% 15N]		1.0 mM

Sample #3

Temperature 277 (±1) K, pH 6.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
3	antifreeze protein type III	[U-95% 13C; U-90% 15N]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4449_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	None
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)

None

Non-standard residues

None

Content subtype: bmr4449_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1372		100.0 (chain: 1, length: 134)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 134, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 973
  - ¹³C chemical shifts: 259
  - ¹⁵N chemical shifts: 140
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
15	THR	HG1	5.46
53	THR	HG1	5.85
54	THR	HG1	6.15
67	THR	HG1	5.01
68	THR	HG1	5.0
85	THR	HG1	5.46
124	THR	HG1	6.22

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	795	764	96.1
¹³C chemical shifts	601	259	43.1
¹⁵N chemical shifts	140	140	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	264	264	100.0
¹³C chemical shifts	268	134	50.0
¹⁵N chemical shifts	123	123	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	531	500	94.2
¹³C chemical shifts	333	125	37.5
¹⁵N chemical shifts	17	17	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	107	101	94.4
¹³C chemical shifts	107	10	9.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	12	12	100.0
¹³C chemical shifts	12	0	0.0

Keywords antifreeze, intramolecular dimer, RD3

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Found 1 Document (1.273 seconds)

BMRB: 4449

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Chemical shift reference

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Chemical shift reference

Related entities 1. antifreeze protein type III intramolecular dimer RD3, : 1 : 2 : 1 entities Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail