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Found 1 Document (4.472 seconds)

BMRB: 30438

6CPK

Solution structure of SH3 domain from Shank3

Authors

Ishida, H., Vogel, H.J.

Assembly

SH3 and multiple ankyrin repeat domains protein 3

Entity

1. SH3 and multiple ankyrin repeat domains protein 3 (polymer), 61 monomers, 6607.507 Da Detail

MVPGRKFIAV KAHSPQGEGE IPLHRGEAVK VLSIGEGGFW EGTVKGRTGW FPADCVEEVQ M

Formula weight

6607.507 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 43.6 %, Completeness (bb): 80.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.6 % (303 of 695)	18.8 % (68 of 362)	65.8 % (179 of 272)	91.8 % (56 of 61)
Backbone	80.4 % (288 of 358)	46.1 % (59 of 128)	100.0 % (173 of 173)	98.2 % (56 of 57)
Sidechain	17.0 % (66 of 388)	3.8 % (9 of 234)	38.0 % (57 of 150)	0.0 % (0 of 4)
Aromatic	0.0 % (0 of 62)	0.0 % (0 of 31)	0.0 % (0 of 29)	0.0 % (0 of 2)
Methyl	26.7 % (16 of 60)	20.0 % (6 of 30)	33.3 % (10 of 30)

1. entity 1

MVPGRKFIAV KAHSPQGEGE IPLHRGEAVK VLSIGEGGFW EGTVKGRTGW FPADCVEEVQ M

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 13C; U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 13C; U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
4	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
5	Bis-Tris	natural abundance	20 mM
6	KCl	natural abundance	100 mM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Shank3 SH3	[U-99% 15N]	1 mM
8	Bis-Tris	natural abundance	20 mM
9	KCl	natural abundance	100 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
10	Shank3 SH3	natural abundance	1 mM
11	Bis-Tris	natural abundance	20 mM
12	KCl	natural abundance	100 mM

LACS Plot; CA

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.57 ppm, Outliers: 1 Detail

Release date

2018-04-15

Citation

Solution structures of the SH3 domains from Shank scaffold proteins and their interactions with Cav1.3 calcium channels
Ishida, H., Skorobogatov, A., Yamniuk, A.P., Vogel, H.J.
FEBS Lett. (2018), 592, 2786-2797, PubMed 30058071 , DOI 10.1002/1873-3468.13209 , Abstract

Related entities 1. SH3 and multiple ankyrin repeat domains protein 3, : 1 : 7 : 207 entities Detail

Interaction partners 1. SH3 and multiple ankyrin repeat domains protein 3, : 28 interactors Detail

More details for 28 interactors identified by 9 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Shank3 SH3	[U-99% 15N]	1 mM
8	Bis-Tris	natural abundance	20 mM
9	KCl	natural abundance	100 mM

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 13C; U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

3 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

4 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

5 3D HN(CA)CO

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

6 3D HBHA(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

7 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

8 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tris	natural abundance	20 mM
3	KCl	natural abundance	100 mM

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 13C; U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
4	Shank3 SH3	[U-99% 13C; U-99% 15N]	1 mM
5	Bis-Tris	natural abundance	20 mM
6	KCl	natural abundance	100 mM

10 2D NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
10	Shank3 SH3	natural abundance	1 mM
11	Bis-Tris	natural abundance	20 mM
12	KCl	natural abundance	100 mM

11 3D 1H-15N NOESY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8, Details 1 mM [U-99% 15N] Shank3 SH3, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	Shank3 SH3	[U-99% 15N]	1 mM
8	Bis-Tris	natural abundance	20 mM
9	KCl	natural abundance	100 mM

nullKeywords PROTEIN BINDING, PSD, postsynaptic density, scaffold protein

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Found 1 Document (4.472 seconds)

BMRB: 30438

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. SH3 and multiple ankyrin repeat domains protein 3, : 1 : 7 : 207 entities Detail

Interaction partners 1. SH3 and multiple ankyrin repeat domains protein 3, : 28 interactors Detail

Experiments performed 11 experiments Detail

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