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Found 1 Document (1.395 seconds)

BMRB: 5161

6RB2

Characterization of the ATP-binding Domain of the Sarco(endo)plasmic Reticulum Ca (2+) -ATPase: Probing Nucleotide Binding By Multidimensional NMR

Authors

Abu-Abed, M., Mal, T.K., Kainosho, M., MacLennan, D.H., Ikura, M.

Assembly

Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase

Entity

1. Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase (polymer, Thiol state: all free), 247 monomers, 27467.24 Da Detail

SMHTTNQMSV CKMFIIDKVD GDFCSLNEFS ITGSTYAPEG EVLKNDKPIR SGQFDGLVEL ATICALCNDS SLDFNETKGV YEKVGEATET ALTTLVEKMN VFNTEVRNLS KVERANACNS VIRQLMKKEF TLEFSRDRKS MSVYCSPAKS SRAAVGNKMF VKGAPEGVID RCNYVRVGTT RVPMTGPVKE KILSVIKEWG TGRDTLRCLA LATRDTPPKR EEMVLDDSSR FMEYETDLTF VGVVGML

Formula weight

27467.24 Da

Source organism

Oryctolagus cuniculus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.4 %, Completeness: 40.0 %, Completeness (bb): 66.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	40.0 % (1129 of 2820)	25.3 % (370 of 1463)	48.2 % (531 of 1102)	89.4 % (228 of 255)
Backbone	66.3 % (972 of 1466)	50.8 % (255 of 502)	67.9 % (492 of 725)	94.1 % (225 of 239)
Sidechain	23.6 % (374 of 1585)	12.1 % (116 of 961)	41.9 % (255 of 608)	18.8 % (3 of 16)
Aromatic	12.0 % (20 of 166)	12.0 % (10 of 83)	12.2 % (10 of 82)	0.0 % (0 of 1)
Methyl	8.8 % (24 of 272)	5.9 % (8 of 136)	11.8 % (16 of 136)

1. Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase

Show sample condition

Sample

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 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: 0.72 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: 0.72 ppm, Outliers: 1 Detail

Release date

2001-10-16

Citation

Characterization of the ATP-binding domain of the sarco(endo)plasmic reticulum Ca(2+)-ATPase: probing nucleotide binding by multidimensional NMR
Abu-Abed, M., Mal, T., Kainosho, M., MacLennan, D.H., Ikura, M.
Biochemistry (2002), 41, 1156-1164, PubMed 11802714 , DOI: , Abstract

Related entities 1. Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase, : 1 : 76 : 114 entities Detail

Interaction partners 1. Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 5 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Varian INOVA (500 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 mM

Sample #2

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-100% 15N]		1.0 mM

2 HNCA

Instrument

#1 Model Varian INOVA (500 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 mM

Sample #2

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-100% 15N]		1.0 mM

3 HN(CO)CA

Instrument

#1 Model Varian INOVA (500 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 mM

Sample #2

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-100% 15N]		1.0 mM

4 HNCACB

Instrument

#1 Model Varian INOVA (500 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 mM

Sample #2

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-100% 15N]		1.0 mM

5 HN(CO)CACB

Instrument

#1 Model Varian INOVA (500 MHz)

#2 Model Varian INOVA (600 MHz)

Sample #1

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-99% 2H; U-100% 13C; U-100% 15N]		1.25 mM

Sample #2

Temperature 296 (±0.5) K, pH 7.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
2	Nucleotide Binding Domain of the Sarco(endo)plasmic reticulum Ca2+-ATPase	[U-100% 15N]		1.0 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5161_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: bmr5161_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1_(no_nucleotide)	Warning	891		94.7 (chain: 1, length: 247)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1_(no_nucleotide)
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 247, Sequence coverage: 94.7%
- Total number of assignments
  - ¹³C chemical shifts: 447
  - ¹⁵N chemical shifts: 222
  - ¹H chemical shifts: 222
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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	1102	447	40.6
¹⁵N chemical shifts	270	222	82.2
¹H chemical shifts	1463	222	15.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	494	234	47.4
¹⁵N chemical shifts	239	222	92.9
¹H chemical shifts	502	222	44.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	608	213	35.0
¹⁵N chemical shifts	31	0	0.0
¹H chemical shifts	961	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	147	9	6.1
¹H chemical shifts	147	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	82	0	0.0
¹⁵N chemical shifts	1	0	0.0
¹H chemical shifts	83	0	0.0

Keywords Ca 2+ -ATPase, SERCA1a nucleotide binding domain, chemical shift mapping, protein-ligand interaction

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Found 1 Document (1.395 seconds)

BMRB: 5161

Sample

Chemical shift reference

Chemical shift reference

Related entities 1. Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase, : 1 : 76 : 114 entities Detail

Interaction partners 1. Nucleotide binding domain of the Sarco(Endo)plasmic Reticulum Ca2+-ATPase, : 2 interactors Detail

Experiments performed 5 experiments Detail

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Chemical shift validation 3 contents Detail