BMRBj - BMREntryMaster

Found 1 Document (3.433 seconds)

BMRB: 6754

1Z87

Backbone and sidechain 1H, 13C, and 15N Chemical Shift Assignments for the PDZ domain of alpha syntrophin

Authors

Yan, J., Wen, W., Xu, W., Long, J., Adams, M.E., Froehner, S.C., Zhang, M.

Assembly

PDZ domain of alpha-syntrophin

Entity

1. PDZ domain of alpha-syntrophin (polymer, Thiol state: not present), 87 monomers, 9368.748 Da Detail

RRRVTVRKAD AGGLGISIKG GRENKMPILI SKIFKGLAAD QTEALFVGDA ILSVNGEDLS SATHDEAVQA LKKTGKEVVL EVKYMKE

Formula weight

9368.748 Da

Source organism

Mus musculus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 85.1 %, Completeness (bb): 84.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.1 % (843 of 991)	92.6 % (478 of 516)	73.0 % (281 of 385)	93.3 % (84 of 90)
Backbone	84.6 % (440 of 520)	98.4 % (179 of 182)	70.2 % (177 of 252)	97.7 % (84 of 86)
Sidechain	87.4 % (480 of 549)	89.5 % (299 of 334)	85.8 % (181 of 211)	0.0 % (0 of 4)
Aromatic	37.5 % (12 of 32)	75.0 % (12 of 16)	0.0 % (0 of 16)
Methyl	89.5 % (102 of 114)	82.5 % (47 of 57)	96.5 % (55 of 57)

1. PDZ domain

RRRVTVRKAD AGGLGISIKG GRENKMPILI SKIFKGLAAD QTEALFVGDA ILSVNGEDLS SATHDEAVQA LKKTGKEVVL EVKYMKE

Show sample condition

Sample

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 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: -0.66 ppm, Outliers: 1 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: -0.66 ppm, Outliers: 1 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: -0.08 ppm, Outliers: 2 Detail

Release date

2007-01-28

Citation

Structure of the split PH domain and distinct lipid-binding properties of the PH-PDZ supramodule of alpha-syntrophin
Yan, J., Wen, W., Xu, W., Long, J., Adams, M.E., Froehner, S.C., Zhang, M.
EMBO J. (2005), 24, 3985-3995, PubMed 16252003 , DOI 10.1038/sj.emboj.7600858 , Abstract

Related entities 1. PDZ domain of alpha-syntrophin, : 1 : 5 : 4 : 539 entities Detail

Interaction partners 1. PDZ domain of alpha-syntrophin, : 15 interactors Detail

More details for 15 interactors identified by 9 citations

Experiments performed 8 experiments Detail

1 HNCO

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

2 HNCA

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

3 HN(CO)CA

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

4 HNCACB

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

5 CBCA(CO)NH

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

6 HCCH-TOCSY

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

7 3D 15N-separated NOESY

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

8 3D 15C-separated NOESY

Instrument

Model Varian Inova (750 MHz)

Sample #1

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	PDZ domain	[U-13C; U-15N]		1 mM

Sample #2

Temperature 303 K, pH 7 (±0.5)

#	Name	Isotope labeling	Type	Concentration
2	PDZ domain	[U-15N]		1 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6754_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: bmr6754_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	932		100.0 (chain: 1, length: 87)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 87, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 582
  - ¹³C chemical shifts: 266
  - ¹⁵N chemical shifts: 84
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 (%)
¹H chemical shifts	59	49	83.1
¹³C chemical shifts	59	55	93.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	516	484	93.8
¹³C chemical shifts	385	266	69.1
¹⁵N chemical shifts	95	84	88.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	182	181	99.5
¹³C chemical shifts	174	86	49.4
¹⁵N chemical shifts	86	84	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	334	303	90.7
¹³C chemical shifts	211	180	85.3
¹⁵N chemical shifts	9	0	0.0

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Found 1 Document (3.433 seconds)

BMRB: 6754

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. PDZ domain of alpha-syntrophin, : 1 : 5 : 4 : 539 entities Detail

Interaction partners 1. PDZ domain of alpha-syntrophin, : 15 interactors Detail

Experiments performed 8 experiments Detail

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Chemical shift validation 3 contents Detail