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BMRB: 17145

2L7M

Chemical Shifts of the R24H Pitx2 Homeodomain Mutant

Authors

Doerdelmann, T., Kojetin, D.J., Baird-Titus, J.M., Rance, M.

Assembly

Pitx2 homeodomain R24H

Entity

1. Pitx2 homeodomain R24H (polymer, Thiol state: not present), 68 monomers, 8451.345 Da Detail

GSQRRQRTHF TSQQLQELEA TFQRNHYPDM STREEIAVWT NLTEARVRVW FKNRRAKWRK REEFIVTD

Formula weight

8451.345 Da

Source organism

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.5 %, Completeness: 92.5 %, Completeness (bb): 97.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.5 % (794 of 858)	89.5 % (407 of 455)	95.7 % (310 of 324)	97.5 % (77 of 79)
Backbone	97.3 % (395 of 406)	96.3 % (131 of 136)	98.0 % (199 of 203)	97.0 % (65 of 67)
Sidechain	89.8 % (466 of 519)	86.5 % (276 of 319)	94.7 % (178 of 188)	100.0 % (12 of 12)
Aromatic	87.0 % (80 of 92)	89.1 % (41 of 46)	83.7 % (36 of 43)	100.0 % (3 of 3)
Methyl	98.3 % (57 of 58)	100.0 % (29 of 29)	96.6 % (28 of 29)

1. Pitx2 homeodomain R24H

GSQRRQRTHF TSQQLQELEA TFQRNHYPDM STREEIAVWT NLTEARVRVW FKNRRAKWRK REEFIVTD

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: -0.1 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.47 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2L7M, Strand ID: P Detail

Release date

2010-11-08

Citation

1H, 13C and 15N chemical shift assignments for the human Pitx2 homeodomain and a R24H homeodomain mutant
Doerdelmann, T., Kojetin, D.J., Baird-Titus, J.M., Rance, M.
Biomol. NMR Assign. (2011), 5, 105-107, PubMed 21052876 , DOI 10.1007/s12104-010-9278-x , Abstract

Related entities 1. Pitx2 homeodomain R24H, : 1 : 30 : 249 entities Detail

Interaction partners 1. Pitx2 homeodomain R24H, : 6 interactors Detail

More details for 6 interactors identified by 2 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

3 3D HNCACB

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

5 3D CBCA(CO)NH

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

6 3D HNCO

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

7 3D HBHA(CO)NH

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

8 3D H(CCO)NH

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D HCCH-TOCSY

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

10 3D 1H-15N NOESY

Instrument

Varian INOVA - 800 MHz Cryoprobe

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Pitx2 homeodomain R24H	[U-98% 13C; U-98% 15N]		1.5 mM
2	phosphate buffer	natural abundance		10 mM
3	sodium sulfate	natural abundance		150 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

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