BMRBj - BMREntryMaster

Found 1 Document (1.281 seconds)

BMRB: 4098

2JU8

1H, 15N and 13C Resonance Assignments and Secondary Structure of Apo Liver Fatty Acid-Binding Protein

Authors

Wang, H., He, Y., Hsu, K., Magliocca, J.F., Storch, J., Stark, R.E.

Assembly

Liver Fatty Acid-Binding Protein

Entity

1. Liver Fatty Acid-Binding Protein (polymer), 127 monomers, 14272.36 Da Detail

MNFSGKYQVQ SQENFEPFMK AMGLPEDLIQ KGKDIKGVSE IVHEGKKVKL TITYGSKVIH NEFTLGEECE LETMTGEKVK AVVKMEGDNK MVTTFKGIKS VTEFNGDTIT NTMTLGDIVY KRVSKRI

Formula weight

14272.36 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.3 %, Completeness: 79.1 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.1 % (1195 of 1511)	74.9 % (592 of 790)	84.0 % (492 of 586)	82.2 % (111 of 135)
Backbone	92.0 % (697 of 758)	90.5 % (239 of 264)	94.3 % (348 of 369)	88.0 % (110 of 125)
Sidechain	69.8 % (606 of 868)	67.1 % (353 of 526)	75.9 % (252 of 332)	10.0 % (1 of 10)
Aromatic	0.0 % (0 of 92)	0.0 % (0 of 46)	0.0 % (0 of 46)
Methyl	84.6 % (115 of 136)	86.8 % (59 of 68)	82.4 % (56 of 68)

1. Liver Fatty Acid-Binding Protein

MNFSGKYQVQ SQENFEPFMK AMGLPEDLIQ KGKDIKGVSE IVHEGKKVKL TITYGSKVIH NEFTLGEECE LETMTGEKVK AVVKMEGDNK MVTTFKGIKS VTEFNGDTIT NTMTLGDIVY KRVSKRI

Show sample condition

Sample

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹³C	DSS	methyl protons	0.0 ppm	external	direct
¹H	DSS	methyl protons	0.0 ppm	external	direct
¹⁵N	NH4	na	24.93 ppm	external	direct

Referencing offset: -0.13 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹³C	DSS	methyl protons	0.0 ppm	external	direct
¹H	DSS	methyl protons	0.0 ppm	external	direct
¹⁵N	NH4	na	24.93 ppm	external	direct

Referencing offset: -0.13 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹³C	DSS	methyl protons	0.0 ppm	external	direct
¹H	DSS	methyl protons	0.0 ppm	external	direct
¹⁵N	NH4	na	24.93 ppm	external	direct

Referencing offset: -0.18 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type
¹³C	DSS	methyl protons	0.0 ppm	external	direct
¹H	DSS	methyl protons	0.0 ppm	external	direct
¹⁵N	NH4	na	24.93 ppm	external	direct

Referencing offset: 0.38 ppm, Outliers: 1 Detail

Release date

1998-12-20

Citation 1

1H, 15N and 13C resonance assignments and secondary structure of apo liver fatty acid-binding protein
Wang, H., He, Y., Hsu, K., Magliocca, J.F., Storch, J., Stark, R.E.
J. Biomol. NMR (1998), 12, 197-199, PubMed 9729799 , Abstract

Show more 5 citaions

Citation 2

No title is available
Johnson, B.A., Blevins, R.A.
J. Biomol. NMR (1994), 4, 603-614

Citation 3

NMRPipe: a multidimensional spectral processing system based on UNIX pipes
Delaglio, F., Grzesiek, S., Vuister, G.W., Zhu, G., Pfeifer, J., Bax, A.
J. Biomol. NMR (1995), 6, 277-293, PubMed 8520220 , Abstract

Citation 4

Automated analysis of nuclear magnetic resonance assignments for proteins
Zimmerman, D.E., Montelione, G.T.
Curr. Opin. Struct. Biol. (1995), 5, 664-673, PubMed 8574703 , DOI: , Abstract

Citation 5

No title is available
Garrett, D.S., Powers, R., Gronenborn, A.M., Clore, G.M.
J. Mag. Reson. (1991), 95, 214-220

Citation 6

Backbone 1H and 15N resonance assignments of the N-terminal SH3 domain of drk in folded and unfolded states using enhanced-sensitivity pulsed field gradient NMR techniques
Zhang, O., Kay, L.E., Olivier, J.P., Forman-Kay, J.D.
J. Biomol. NMR (1994), 4, 845-858, PubMed 7812156 , DOI: , Abstract

Hide non-primary 5 citaions

Related entities 1. Liver Fatty Acid-Binding Protein, : 1 : 4 : 1 : 217 entities Detail

Interaction partners 1. Liver Fatty Acid-Binding Protein, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 9 experiments Detail

1 CBCA(CO)NH

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

2 HNCACB

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

3 CBCACOHA

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

4 H(CCO)NH-TOCSY

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

5 C(CO)NH-TOCSY

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

6 HCCH-TOCSY

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

7 15N-HSQC

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

8 TOCSY-HSQC(15N)

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

9 NOESY-HSQC(15N)

Instrument

#1 Model Varian Inova-600 (600 MHz) Details 3 channels with z-gradient

#2 Model Varian 600 (600 MHz) Details 3 channels with z-gradient

Sample #1

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Liver Fatty Acid-Binding Protein	[U-99% 13C; U-98% 15N]	1.3 mM
2	phosphate		20 mM
3	D2O		5 %
4	H2O		95 %
5	NaCl		100 mM
6	EDTA		50 uM
7	sodium_azide		0.02 %
8	bovine_lung_aprotinin		0.01 %

Sample #2

Temperature 303 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
9	Liver Fatty Acid-Binding Protein	[U-98% 15N]	1.0 ~ 1.3 mM
10	phosphate		20 mM
11	D2O		5 %
12	H2O		95 %
13	NaCl		100 mM
14	EDTA		50 uM
15	sodium_azide		0.02 %
16	bovine_lung_aprotinin		0.01 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4098_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: bmr4098_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	1276		94.5 (chain: 1, length: 127)
1	Chemical shift references	chemical_shift_reference	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 127, Sequence coverage: 94.5%
- Total number of assignments
  - ¹³C chemical shifts: 485
  - ¹H chemical shifts: 682
  - ¹⁵N chemical shifts: 109
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	586	485	82.8
¹H chemical shifts	790	572	72.4
¹⁵N chemical shifts	137	109	79.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	254	238	93.7
¹H chemical shifts	264	239	90.5
¹⁵N chemical shifts	125	109	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	332	247	74.4
¹H chemical shifts	526	333	63.3
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	75	53	70.7
¹H chemical shifts	75	55	73.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	46	0	0.0
¹H chemical shifts	46	0	0.0

Keywords 3D_NMR, chemical-shift index, FABP, Fatty Acid-Binding Protein, isotopic enrichment, resonance assignments, secondary structure

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Found 1 Document (1.281 seconds)

BMRB: 4098

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Liver Fatty Acid-Binding Protein, : 1 : 4 : 1 : 217 entities Detail

Interaction partners 1. Liver Fatty Acid-Binding Protein, : 2 interactors Detail

Experiments performed 9 experiments Detail

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Chemical shift validation 3 contents Detail