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BMRB: 17918

2LJ4

Solution structure of the TbPIN1

Authors

Sun, L.F., Lin, D.H., Zhao, Y.F.

Assembly

TbPIN1

Entity

1. TbPIN1 (polymer), 115 monomers, 12497.89 Da Detail

MSEKLRAAHL LVKFSGSRNP VSRRTGDSTA DVTYEDAIKE LQKWSQRIAS GEVSFEEAAS QRSDCGSYAS GGDLGFFSSG EMMKPFEDAV RALKIGDISP IVQTDSGLHI IKRLA

Formula weight

12497.89 Da

Source organism

Trypanosoma brucei

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.2 %, Completeness (bb): 99.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.2 % (1209 of 1284)	95.7 % (638 of 667)	91.0 % (454 of 499)	99.2 % (117 of 118)
Backbone	99.1 % (678 of 684)	98.7 % (234 of 237)	99.4 % (333 of 335)	99.1 % (111 of 112)
Sidechain	90.1 % (635 of 705)	94.0 % (404 of 430)	83.6 % (225 of 269)	100.0 % (6 of 6)
Aromatic	54.7 % (47 of 86)	95.3 % (41 of 43)	11.9 % (5 of 42)	100.0 % (1 of 1)
Methyl	98.2 % (112 of 114)	100.0 % (57 of 57)	96.5 % (55 of 57)

1. Prolyl Cis/trans Isomerase TbPIN1

MSEKLRAAHL LVKFSGSRNP VSRRTGDSTA DVTYEDAIKE LQKWSQRIAS GEVSFEEAAS QRSDCGSYAS GGDLGFFSSG EMMKPFEDAV RALKIGDISP IVQTDSGLHI IKRLA

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: -1.61 ppm, Outliers: 3 Detail

LACS Plot; CB

Referencing offset: -1.61 ppm, Outliers: 3 Detail

LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: -1.46 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2LJ4, Strand ID: A Detail

Release date

2012-08-20

Citation

Solution structural analysis of the single-domain parvulin TbPin1
Sun, L.F., Wu, X.H., Peng, Y.F., Goh, J.H., Liou, Y.F., Lin, D.H., Zhao, Y.F.
PLoS One (2012), 7, e43017-e43017, PubMed 22900083 , DOI 10.1371/journal.pone.0043017 , Abstract

Related entities 1. TbPIN1, : 1 : 170 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

5 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

6 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

7 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

8 3D HCACO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

9 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

10 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

11 3D 1H-15N TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

12 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

13 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

14 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

15 3D CCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

16 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 101325 Pa, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	Prolyl Cis/trans Isomerase TbPIN1	[U-99% 13C; U-99% 15N]		0.8 ~ 1.0 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

nullKeywords TbPIN1