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BMRB: 16909

2KXC

1H, 13C, and 15N Chemical Shift Assignments for IRTKS-SH3 and EspFu-R47 complex

Authors

Aitio, O., Hellman, M., Kazlauskas, A., Vingadassalom, D., Leong, J.M., Saksela, K., Permi, P.

Assembly

IRTKS-SH3 and EspFu-R47 complex

Entity

1. IRTKS-SH3 (polymer, Thiol state: not present), 67 monomers, 7547.509 Da Detail

GSHMKKQKVK TIFPHTAGSN KTLLSFAQGD VITLLIPEEK DGWLYGEHDV SKARGWFPSS YTKLLEE

2. EspFu-R47 (polymer, Thiol state: not present), 17 monomers, 1833.049 Da Detail

HIPPAPNWPA PTPPVQN

Total weight

9380.558 Da

Max. entity weight

7547.509 Da

Source organism

Homo sapiens , Escherichia coli

Exptl. method

Refine. method

molecular dynamics, TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 84.5 %, Completeness (bb): 79.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.5 % (848 of 1003)	91.8 % (482 of 525)	74.2 % (293 of 395)	88.0 % (73 of 83)
Backbone	79.1 % (383 of 484)	91.5 % (150 of 164)	67.5 % (166 of 246)	90.5 % (67 of 74)
Sidechain	90.8 % (542 of 597)	92.0 % (332 of 361)	89.9 % (204 of 227)	66.7 % (6 of 9)
Aromatic	83.7 % (82 of 98)	93.9 % (46 of 49)	71.7 % (33 of 46)	100.0 % (3 of 3)
Methyl	98.8 % (81 of 82)	100.0 % (41 of 41)	97.6 % (40 of 41)

1. IRTKS-SH3

GSHMKKQKVK TIFPHTAGSN KTLLSFAQGD VITLLIPEEK DGWLYGEHDV SKARGWFPSS YTKLLEE

2. EspFu-R47

HIPPAPNWPA PTPPVQN

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 2KXC, Strand ID: A, B Detail

Release date

2012-01-03

Citation

Recognition of tandem PxxP motifs as a unique Src homology 3-binding mode triggers pathogen-driven actin assembly
Aitio, O., Hellman, M., Kazlauskas, A., Vingadassalom, D., Leong, J.M., Saksela, K., Permi, P.
Proc. Natl. Acad. Sci. U. S. A. (2010), 107, 21743-21748, PubMed 21098279 , DOI 10.1073/pnas.1010243107 , Abstract

Related entities 1. IRTKS-SH3, : 2 : 139 entities Detail

Related entities 2. EspFu-R47, : 1 : 4 : 8 : 1 entities Detail

Interaction partners 1. IRTKS-SH3, : 34 interactors Detail

More details for 34 interactors identified by 8 citations

Experiments performed 20 experiments Detail

1 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

2 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

3 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

4 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

5 3D 1H-13C NOESY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

6 3D HCCH-COSY

Instrument

Varian INOVA - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

7 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

8 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

9 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

10 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

11 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

12 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

13 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

14 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

15 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

16 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

17 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

18 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

19 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	IRTKS-SH3	[U-98% 13C; U-98% 15N]		0.48 mM
2	EspFu-R47	natural abundance		0.48 mM
3	H2O	natural abundance		93 %
4	D2O	natural abundance		7 %
5	sodium phosphate	natural abundance		20 mM
6	NaCl	natural abundance		50 mM

20 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
7	EspFu-R47	[U-98% 13C; U-98% 15N]		0.9 mM
8	IRTKS-SH3	natural abundance		0.9 mM
9	H2O	natural abundance		93 %
10	D2O	natural abundance		7 %
11	sodium phosphate	natural abundance		20 mM
12	NaCl	natural abundance		50 mM

nullKeywords Complex Structure, EspFu, IRTKS-SH3