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Found 1 Document (1.681 seconds)

BMRB: 7189

2GI4

NMR assignments of the low molecular weight protein tyrosine phosphatase from Campylobacter Jejuni

Authors

Tolkatchev, D., Shaykhutdinov, R., Xu, P., Ni, F.

Assembly

Cj1258 monomer

Entity

1. Cj1258 monomer (polymer, Thiol state: all free), 156 monomers, 17975.43 Da Detail

MKKILFICLG NICRSPMAEF IMKDLVKKAN LEKEFFINSA GTSGEHDGEG MHYGTKNKLA QLNIEHKNFT SKKLTQKLCD ESDFLITMDN SNFKNVLKNF TNTQNKVLKI TDFSPSLNYD EVPDPWYSGN FDETYKILSL ACKNLLVFLS KHHHHH

Formula weight

17975.43 Da

Source organism

Campylobacter jejuni

Exptl. method

NMR

Refine. method

Simulated annealing using torsion angle and Cartesian dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 98.1 %, Completeness: 93.3 %, Completeness (bb): 96.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.3 % (1777 of 1904)	93.7 % (931 of 994)	92.2 % (681 of 739)	96.5 % (165 of 171)
Backbone	96.8 % (898 of 928)	97.1 % (306 of 315)	96.3 % (444 of 461)	97.4 % (148 of 152)
Sidechain	91.1 % (1025 of 1125)	92.0 % (625 of 679)	89.7 % (383 of 427)	89.5 % (17 of 19)
Aromatic	65.6 % (122 of 186)	67.7 % (63 of 93)	63.0 % (58 of 92)	100.0 % (1 of 1)
Methyl	98.7 % (150 of 152)	98.7 % (75 of 76)	98.7 % (75 of 76)

1. LMW PTPase

MKKILFICLG NICRSPMAEF IMKDLVKKAN LEKEFFINSA GTSGEHDGEG MHYGTKNKLA QLNIEHKNFT SKKLTQKLCD ESDFLITMDN SNFKNVLKNF TNTQNKVLKI TDFSPSLNYD EVPDPWYSGN FDETYKILSL ACKNLLVFLS KHHHHH

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

Chem. Shift Complete2

Sequence coverage: 91.7 %, Completeness: 79.4 %, Completeness (bb): 92.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	79.4 % (3024 of 3808)	78.3 % (1557 of 1988)	78.6 % (1162 of 1478)	89.2 % (305 of 342)
Backbone	92.5 % (1717 of 1856)	92.5 % (583 of 630)	92.3 % (851 of 922)	93.1 % (283 of 304)
Sidechain	70.6 % (1588 of 2250)	71.7 % (974 of 1358)	69.3 % (592 of 854)	57.9 % (22 of 38)
Aromatic	40.9 % (152 of 372)	41.9 % (78 of 186)	39.1 % (72 of 184)	100.0 % (2 of 2)
Methyl	69.7 % (212 of 304)	70.4 % (107 of 152)	69.1 % (105 of 152)

1. LMW PTPase

MKKILFICLG NICRSPMAEF IMKDLVKKAN LEKEFFINSA GTSGEHDGEG MHYGTKNKLA QLNIEHKNFT SKKLTQKLCD ESDFLITMDN SNFKNVLKNF TNTQNKVLKI TDFSPSLNYD EVPDPWYSGN FDETYKILSL ACKNLLVFLS KHHHHH

Show sample condition

Sample

Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.71 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.71 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 4 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.2 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2GI4, Strand ID: A Detail

Release date

2006-10-11

Citation

Three-dimensional structure and ligand interactions of the low molecular weight protein tyrosine phosphatase from Campylobacter jejuni
Tolkatchev, D., Shaykhutdinov, R., Xu, P., Plamondon, J., Watson, D.C., Young, N.MARTIN., Ni, F.
Protein Sci. (2006), 15, 2381-2394, PubMed 17008719 , DOI 10.1110/ps.062279806 , Abstract

Related entities 1. Cj1258 monomer, : 1 : 119 entities Detail

Experiments performed 15 experiments Detail

1 HBHAcoNH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

2 HNCACB

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

3 HNCO

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

4 CBCAcoNH

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

5 H(C)CH-COSY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

6 15N-edited_NOESY-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

7 13C-edited_NOESY-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

8 aromatic_13C-edited_NOESY-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

9 15N,1H-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

10 13C,1H-HSQC

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 5.8 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

11 15N,1H-HSQC_2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

12 HBHAcoNH_2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

13 HNCACB_2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

14 HNCO_2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

15 CBCAcoNH_2

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Temperature 298 (±0.2) K, pH 7.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Cj1258	[U-15N; U-13C]	protein
2	sodium phosphate		buffer	20 mM
3	EDTA		buffer	0.2 mM
4	NaN3		buffer	0.01 %
5	water		solvent	90 %
6	deuterated water	[U-99.96% 2H]	solvent	10 %

nullKeywords bacterial, ligand, low molecular weight, structure, tyrosine phosphatase

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Found 1 Document (1.681 seconds)

BMRB: 7189

Sample

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Cj1258 monomer, : 1 : 119 entities Detail

Experiments performed 15 experiments Detail

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