BMRBj - BMREntryMaster

Found 1 Document (0.85 seconds)

BMRB: 30436

6CPI

Solution structure of SH3 domain from Shank1

Authors

Ishida, H., Vogel, H.J.

Assembly

SH3 and multiple ankyrin repeat domains protein 1

Entity

1. SH3 and multiple ankyrin repeat domains protein 1 (polymer), 61 monomers, 6619.470 Da Detail

MVPGRSFMAV KSYQAQAEGE ISLSKGEKIK VLSIGEGGFW EGQVKGRVGW FPSDCLEEVA N

Formula weight

6619.47 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 43.8 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.8 % (307 of 701)	20.5 % (75 of 366)	64.4 % (174 of 270)	89.2 % (58 of 65)
Backbone	80.9 % (293 of 362)	47.3 % (61 of 129)	100.0 % (174 of 174)	98.3 % (58 of 59)
Sidechain	16.9 % (66 of 391)	5.9 % (14 of 237)	35.1 % (52 of 148)	0.0 % (0 of 6)
Aromatic	0.0 % (0 of 62)	0.0 % (0 of 31)	0.0 % (0 of 29)	0.0 % (0 of 2)
Methyl	7.1 % (4 of 56)	0.0 % (0 of 28)	14.3 % (4 of 28)

1. entity 1

MVPGRSFMAV KSYQAQAEGE ISLSKGEKIK VLSIGEGGFW EGQVKGRVGW FPSDCLEEVA N

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 13C; U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tirs, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	Shank1 SH3 domain	[U-99% 15N]	1 mM
5	KCl	natural abundance	100 mM
6	Bis-Tris	natural abundance	20 mM

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
7	Shank1 SH3 domain	natural abundance	1 mM
8	KCl	natural abundance	100 mM
9	Bis-Tris	natural abundance	20 mM

Sample #4

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 13C; U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
10	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
11	KCl	natural abundance	100 mM
12	Bis-Tris	natural abundance	20 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: -0.08 ppm, Outliers: 2 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: -0.08 ppm, Outliers: 2 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: 0.66 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 1, : 1 : 6 : 247 entities Detail

Interaction partners 1. SH3 and multiple ankyrin repeat domains protein 1, : 4 interactors Detail

More details for 4 interactors identified by 4 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
4	Shank1 SH3 domain	[U-99% 15N]	1 mM
5	KCl	natural abundance	100 mM
6	Bis-Tris	natural abundance	20 mM

2 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 13C; U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tirs, 100 mM KCl, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

3 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

4 3D HNCO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

5 3D HN(CA)CO

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

6 2D NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
7	Shank1 SH3 domain	natural abundance	1 mM
8	KCl	natural abundance	100 mM
9	Bis-Tris	natural abundance	20 mM

7 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8 (±0.1), Details 1 mM [U-99% 13C; U-99% 15N] Shank1 SH3 domain, 20 mM Bis-Tris, 100 mM KCl, 100% D2O

#	Name	Isotope labeling	Concentration
10	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
11	KCl	natural abundance	100 mM
12	Bis-Tris	natural abundance	20 mM

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
4	Shank1 SH3 domain	[U-99% 15N]	1 mM
5	KCl	natural abundance	100 mM
6	Bis-Tris	natural abundance	20 mM

9 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

10 3D H(CCO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

11 3D HBHA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	Shank1 SH3 domain	[U-99% 13C; U-99% 15N]	1 mM
2	Bis-Tirs	natural abundance	20 mM
3	KCl	natural abundance	100 mM

nullKeywords PROTEIN BINDING, PSD, postsynaptic density, scaffold protein

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Found 1 Document (0.85 seconds)

BMRB: 30436

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 1, : 1 : 6 : 247 entities Detail

Interaction partners 1. SH3 and multiple ankyrin repeat domains protein 1, : 4 interactors Detail

Experiments performed 11 experiments Detail

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