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BMRB: 16945

2KYC

solution structure of Ca-free chicken parvalbumin 3 (CPV3)

Authors

Henzl, M.T., Tanner, J.J., Tan, A.

Assembly

chicken parvalbumin 3

Entity

1. chicken parvalbumin 3 (polymer, Thiol state: all free), 108 monomers, 11959.17 Da Detail

SLTDILSPSD IAAALRDCQA PDSFSPKKFF QISGMSKKSS SQLKEIFRIL DNDQSGFIEE DELKYFLQRF ESGARVLTAS ETKTFLAAAD HDGDGKIGAE EFQEMVQS

Formula weight

11959.17 Da

Source organism

Exptl. method

Refine. method

TORSION ANGLE DYNAMICS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.2 %, Completeness (bb): 99.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.2 % (1172 of 1244)	97.1 % (629 of 648)	89.2 % (431 of 483)	99.1 % (112 of 113)
Backbone	99.5 % (639 of 642)	99.5 % (218 of 219)	99.7 % (317 of 318)	99.0 % (104 of 105)
Sidechain	90.2 % (635 of 704)	95.8 % (411 of 429)	80.9 % (216 of 267)	100.0 % (8 of 8)
Aromatic	36.3 % (37 of 102)	72.5 % (37 of 51)	0.0 % (0 of 51)
Methyl	100.0 % (100 of 100)	100.0 % (50 of 50)	100.0 % (50 of 50)

1. ca-free CPV3

SLTDILSPSD IAAALRDCQA PDSFSPKKFF QISGMSKKSS SQLKEIFRIL DNDQSGFIEE DELKYFLQRF ESGARVLTAS ETKTFLAAAD HDGDGKIGAE EFQEMVQS

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

LACS Plot; CA

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 0.02 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: 0.07 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -0.39 ppm, Outliers: 3 Detail

Protein Blocks Logo

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

Release date

2011-05-04

Citation

Solution structures of chicken parvalbumin 3 in the Ca(2+)-free and Ca(2+)-bound states
Henzl, M.T., Tanner, J.J., Tan, A.
Proteins (2011), 79, 752-764, PubMed 21287610 , DOI 10.1002/prot.22915 , Abstract

Related entities 1. chicken parvalbumin 3, : 1 : 1 : 1 : 145 entities Detail

Experiments performed 17 experiments Detail

1 3D CBCA(CO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

2 3D HNCACB

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

3 3D HNCA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

4 3D HN(CO)CA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

5 3D HNCO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

6 3D HCACO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

7 3D C(CO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

8 3D HBHA(CO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

9 3D H(CCO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

10 3D HCCH-TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

11 HBCBCGCDHD

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

12 HBCBCGCDCEHE

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

13 3D 1H-15N TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

14 3D 1H-15N NOESY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

15 3D 1H-13C NOESY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

16 2D 1H-15N HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

17 2D 1H-13C HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 293 K, pH 6.0, Details 0.15 M NaCl, 0.01 M Mes, pH 6.0, 0.1% sodium azide, 10% D2O

#	Name	Isotope labeling	Type	Concentration
1	ca-free CPV3	[U-98% 13C; U-98% 15N]		3.0 (±0.25) mM
2	sodium chloride	natural abundance		150 mM
3	MES	natural abundance		10 mM
4	D2O	natural abundance		10 %
5	sodium azide	natural abundance		0.1 %
6	H2O	natural abundance		90 %

nullKeywords calcium-binding protein, EF-hand protein, parvalbumin