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Found 1 Document (1.002 seconds)

BMRB: 15327

2HGK

Chemical Shift Assignments for E. coli protein YqcC: Northeast Structural Genomics Consortium target ER225

Authors

Cort, J.R.

Assembly

YqcC

Entity

1. YqcC (polymer, Thiol state: not present), 117 monomers, 13851.48 Da Detail

MTTHDRVRLQ LQALEALLRE HQHWRNDEPQ PHQFNSTQPF FMDTMEPLEW LQWVLIPRMH DLLDNKQPLP GAFAVAPYYE MALATDHPQR ALILAELEKL DALFADDASL EHHHHHH

Formula weight

13851.48 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

The structure was solved automatically using AutoStructure, and refined manually with Xplor and CNS

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 86.3 %, Completeness: 78.4 %, Completeness (bb): 81.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	78.4 % (1111 of 1417)	79.2 % (584 of 737)	76.7 % (427 of 557)	81.3 % (100 of 123)
Backbone	81.9 % (560 of 684)	84.5 % (191 of 226)	80.0 % (280 of 350)	82.4 % (89 of 108)
Sidechain	76.6 % (650 of 849)	76.9 % (393 of 511)	76.2 % (246 of 323)	73.3 % (11 of 15)
Aromatic	52.0 % (78 of 150)	54.7 % (41 of 75)	48.6 % (35 of 72)	66.7 % (2 of 3)
Methyl	92.1 % (116 of 126)	92.1 % (58 of 63)	92.1 % (58 of 63)

1. YqcC

MTTHDRVRLQ LQALEALLRE HQHWRNDEPQ PHQFNSTQPF FMDTMEPLEW LQWVLIPRMH DLLDNKQPLP GAFAVAPYYE MALATDHPQR ALILAELEKL DALFADDASL EHHHHHH

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details D2O sample

#	Name	Isotope labeling	Concentration
7	YqcC	[U-100% 13C; U-100% 15N]	1.2 (±0.25) mM
8	D2O	100%	100 %
9	sodium chloride	natural abundance	100 mM
10	MES	natural abundance	20 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 %

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: -0.02 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: -0.02 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: 0.05 ppm, Outliers: 1 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: -0.44 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2007-07-25

Citation

Solution NMR Structure of protein YqcC from E. coli
Cort, J.R.
Not known

Related entities 1. YqcC, : 1 : 2 : 2 entities Detail

Interaction partners 1. YqcC, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 17 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

3 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

4 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

6 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

7 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

8 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

9 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

10 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

11 3D HNCA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

12 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

13 3D H(CCO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

14 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

15 4D 1H-13C-13C-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details D2O sample

#	Name	Isotope labeling	Concentration
7	YqcC	[U-100% 13C; U-100% 15N]	1.2 (±0.25) mM
8	D2O	100%	100 %
9	sodium chloride	natural abundance	100 mM
10	MES	natural abundance	20 mM
11	calcium chloride	natural abundance	5 mM
12	sodium azide	natural abundance	0.02 %

16 2D HBCBCGCDHD-aromatic

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

17 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Pressure 1 atm, Temperature 298 (±1) K, pH 6.5 (±0.1), Details sample produced in 5% U-13C-glucose media

#	Name	Isotope labeling	Concentration
1	YqcC	[biosynthetically-directed-5% 13C; U-100% 15N]	1.2 (±0.25) mM
2	D2O	[U-100% 2H]	5 %
3	sodium chloride	natural abundance	100 mM
4	MES	natural abundance	20 mM
5	calcium chloride	natural abundance	5 mM
6	sodium azide	natural abundance	0.02 %

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Found 1 Document (1.002 seconds)

BMRB: 15327

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. YqcC, : 1 : 2 : 2 entities Detail

Interaction partners 1. YqcC, : 1 interactors Detail

Experiments performed 17 experiments Detail

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