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Found 1 Document (1.697 seconds)

BMRB: 5225

1JNS

Solution Structure of the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli

Authors

Kuhlewein, A., Voll, G., Schelbert, B., Kessler, H., Fischer, G., Rahfeld, J., Gemmecker, G.

Assembly

Parvulin 10

Entity

1. Parvulin 10 (polymer, Thiol state: all free), 92 monomers, 10100.70 Da Detail

AKTAAALHIL VKEEKLALDL LEQIKNGADF GKLAKKHSIC PSGKRGGDLG EFRQGQMVPA FDKVVFSCPV LEPTGPLHTQ FGYHIIKVLY RN

Formula weight

10100.7 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts, coupling_constants

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.2 %, Completeness (bb): 98.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.2 % (1005 of 1090)	89.5 % (509 of 569)	95.1 % (407 of 428)	95.7 % (89 of 93)
Backbone	98.2 % (532 of 542)	97.3 % (183 of 188)	98.5 % (263 of 267)	98.9 % (86 of 87)
Sidechain	88.1 % (556 of 631)	85.6 % (326 of 381)	93.0 % (227 of 244)	50.0 % (3 of 6)
Aromatic	70.7 % (58 of 82)	78.0 % (32 of 41)	63.4 % (26 of 41)
Methyl	95.5 % (105 of 110)	92.7 % (51 of 55)	98.2 % (54 of 55)

1. Parvulin 10

AKTAAALHIL VKEEKLALDL LEQIKNGADF GKLAKKHSIC PSGKRGGDLG EFRQGQMVPA FDKVVFSCPV LEPTGPLHTQ FGYHIIKVLY RN

Show sample condition

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

LACS Plot; CA

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

Referencing offset: -0.99 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.99 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.28 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 18 models in PDB: 1JNS, Strand ID: A Detail

Coupling constant

69 J values in 1 lists
Temperature 297.6 (±0.1) K, pH 6.0 (±0.1) Detail

Release date

2003-06-08

Citation

Solution Structure of the Peptidyl-Prolyl-cis/trans-Isomerase Parvulin 10 of Escherichia coli
Kuhlewein, A., Voll, G., Schelbert, B., Kessler, H., Fischer, G., Rahfeld, J., Gemmecker, G.
J. Mol. Biol.

Related entities 1. Parvulin 10, : 1 : 3 : 226 entities Detail

Experiments performed 16 experiments Detail

1 1H-15N HSQC

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

2 1H-13C HSQC

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

3 HNCACB

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

4 CBCA(CO)NH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

5 HA(CACO)NH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

6 HNCO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

7 HNHA

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

8 3D HCCH-COSY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

9 3D HCCH-TOCSY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

10 3D 15N-edited TOCSY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

11 (H)CC(CO)NH

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

12 MEXICO

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

13 3D 15N-edited NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

14 3D 13C-edited NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

15 3D double 13C-edited NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

16 3D 13C,15N-edited NOESY

Instrument

#1 Model Bruker DMX (600 MHz)

#2 Model Bruker DMX (750 MHz)

Sample #1

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
1	Parvulin 10	[U-15N]	0.8 mM
2	KCl		100 mM
3	phosphate buffer		10 mM

Sample #2

Temperature 297.6 (±0.1) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Concentration
4	Parvulin 10	[U-13C; U-15N]	0.8 mM
5	KCl		100 mM
6	phosphate buffer		10 mM

nullKeywords NMR, PPIase, parvulin

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Found 1 Document (1.697 seconds)

BMRB: 5225

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Parvulin 10, : 1 : 3 : 226 entities Detail

Experiments performed 16 experiments Detail

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