BMRBj - BMREntryMaster

Found 1 Document (0.895 seconds)

BMRB: 11422

2RRK

Solution structure of the E. coli ORF135 protein

Authors

Kawasaki, K., Mishima, M.

Assembly

CTP pyrophosphohydrolase

Entity

1. CTP pyrophosphohydrolase (polymer, Thiol state: all free), 140 monomers, 15457.37 Da Detail

GPLGSMKMIE VVAAIIERDG KILLAQRPAQ SDQAGLWEFA GGKVEPDESQ RQALVRELRE ELGIEATVGE YVASHQREVS GRIIHLHAWH VPDFHGTLQA HEHQALVWCS PEEALQYPLA PADIPLLEAF MALRAARPAD

Formula weight

15457.37 Da

Source organism

Escherichia coli K-12

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.0 %, Completeness (bb): 98.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.0 % (1405 of 1597)	86.4 % (715 of 828)	88.7 % (555 of 626)	94.4 % (135 of 143)
Backbone	98.5 % (810 of 822)	97.9 % (275 of 281)	98.5 % (404 of 410)	100.0 % (131 of 131)
Sidechain	80.0 % (724 of 905)	80.4 % (440 of 547)	80.9 % (280 of 346)	33.3 % (4 of 12)
Aromatic	19.1 % (21 of 110)	25.5 % (14 of 55)	7.7 % (4 of 52)	100.0 % (3 of 3)
Methyl	91.9 % (158 of 172)	90.7 % (78 of 86)	93.0 % (80 of 86)

1. ORF135 protein

GPLGSMKMIE VVAAIIERDG KILLAQRPAQ SDQAGLWEFA GGKVEPDESQ RQALVRELRE ELGIEATVGE YVASHQREVS GRIIHLHAWH VPDFHGTLQA HEHQALVWCS PEEALQYPLA PADIPLLEAF MALRAARPAD

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	ORF135 protein	[U-99% 15N]	protein	1 mM
2	potassium phosphate	natural abundance	salt	50 mM
3	potassium chloride	natural abundance	salt	20 mM
4	DTT	natural abundance	buffer	1 mM
5	EDTA	natural abundance	buffer	0.1 mM
6	H2O		solvent	93 %
7	D2O		solvent	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
15	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
16	potassium phosphate	natural abundance	salt	50 mM
17	potassium chloride	natural abundance	salt	20 mM
18	DTT	natural abundance	buffer	1 mM
19	EDTA	natural abundance	buffer	0.1 mM
20	D2O		solvent	100 %

LACS Plot; CA

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

Referencing offset: -0.03 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: -0.03 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.1 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.29 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2013-02-06

Citation

¹H, ¹³C and ¹⁵N NMR assignments of the Escherichia coli Orf135 protein
Kawasaki, K., Yoneyama, M., Murata-Kamiya, N., Harashima, H., Kojima, C., Ito, Y., Kamiya, H., Mishima, M.
Biomol. NMR Assign. (2012), 6, 1-4, PubMed 21553121 , DOI 10.1007/s12104-011-9312-7 , Abstract

Related entities 1. CTP pyrophosphohydrolase, : 1 : 2 : 75 entities Detail

Interaction partners 1. CTP pyrophosphohydrolase, : 2 interactors Detail

More details for 2 interactors identified by 2 citations

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	ORF135 protein	[U-99% 15N]	protein	1 mM
2	potassium phosphate	natural abundance	salt	50 mM
3	potassium chloride	natural abundance	salt	20 mM
4	DTT	natural abundance	buffer	1 mM
5	EDTA	natural abundance	buffer	0.1 mM
6	H2O		solvent	93 %
7	D2O		solvent	7 %

2 3D HNCACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

3 3D HN(CO)CACB

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

4 3D HN(CA)CO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

5 3D HNCO

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
15	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
16	potassium phosphate	natural abundance	salt	50 mM
17	potassium chloride	natural abundance	salt	20 mM
18	DTT	natural abundance	buffer	1 mM
19	EDTA	natural abundance	buffer	0.1 mM
20	D2O		solvent	100 %

7 3D H(CCO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

8 3D C(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

9 4D HC(CO)NH

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
8	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
9	potassium phosphate	natural abundance	salt	50 mM
10	potassium chloride	natural abundance	salt	20 mM
11	DTT	natural abundance	buffer	1 mM
12	EDTA	natural abundance	buffer	0.1 mM
13	H2O		solvent	93 %
14	D2O		solvent	7 %

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
15	ORF135 protein	[U-99% 13C; U-99% 15N]	protein	1 mM
16	potassium phosphate	natural abundance	salt	50 mM
17	potassium chloride	natural abundance	salt	20 mM
18	DTT	natural abundance	buffer	1 mM
19	EDTA	natural abundance	buffer	0.1 mM
20	D2O		solvent	100 %

11 3D 1H-15N NOESY

Instrument

Bruker DRX - 800 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	ORF135 protein	[U-99% 15N]	protein	1 mM
2	potassium phosphate	natural abundance	salt	50 mM
3	potassium chloride	natural abundance	salt	20 mM
4	DTT	natural abundance	buffer	1 mM
5	EDTA	natural abundance	buffer	0.1 mM
6	H2O		solvent	93 %
7	D2O		solvent	7 %

12 2D 15N filtered NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	ORF135 protein	[U-99% 15N]	protein	1 mM
2	potassium phosphate	natural abundance	salt	50 mM
3	potassium chloride	natural abundance	salt	20 mM
4	DTT	natural abundance	buffer	1 mM
5	EDTA	natural abundance	buffer	0.1 mM
6	H2O		solvent	93 %
7	D2O		solvent	7 %

13 3D HNHA

Instrument

Bruker Avance - 500 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 303 K, pH 6.9

#	Name	Isotope labeling	Type	Concentration
1	ORF135 protein	[U-99% 15N]	protein	1 mM
2	potassium phosphate	natural abundance	salt	50 mM
3	potassium chloride	natural abundance	salt	20 mM
4	DTT	natural abundance	buffer	1 mM
5	EDTA	natural abundance	buffer	0.1 mM
6	H2O		solvent	93 %
7	D2O		solvent	7 %

nullKeywords hydrolase

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Found 1 Document (0.895 seconds)

BMRB: 11422

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. CTP pyrophosphohydrolase, : 1 : 2 : 75 entities Detail

Interaction partners 1. CTP pyrophosphohydrolase, : 2 interactors Detail

Experiments performed 13 experiments Detail

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