BMRBj - BMREntryMaster

Found 1 Document (0.925 seconds)

BMRB: 16956

2ML3

NMR assignments of 1H, 13C, 15N resonance in C-terminal subunit from Azotobacter vinelandii mannronan C5-epimerase 6 (AlgE6R3)

Authors

Buchinger, E., Skjaak-Braek, G., Valla, S., Wimmer, R., Aachmann, F.L.

Assembly

AlgE6R3

Entity

1. AlgE6R3 (polymer, Thiol state: not present), 181 monomers, 18225.32 Da Detail

ADPGVEGTPV VGSDLDDELH GTLGSEQILG GGGADQLYGY AGNDLLDGGA GRDKLSGGEG ADTFRFALRE DSHRSPLGTF GDRILDFDPS QDRIDVSALG FSGLGNGYAG SLAVSVSDDG TRTYLKSYEA DAQGLSFEVA LEGDHAAALS ADNIVFAATD AAAAGELGVI GASGQPDDPT V

2. CA (non-polymer), 40.078 Da

Total weight

18265.398 Da

Max. entity weight

18225.32 Da

Source organism

Azotobacter vinelandii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 93.7 %, Completeness (bb): 96.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.7 % (1709 of 1824)	93.9 % (866 of 922)	92.9 % (668 of 719)	95.6 % (175 of 183)
Backbone	96.1 % (1032 of 1074)	95.6 % (370 of 387)	96.7 % (495 of 512)	95.4 % (167 of 175)
Sidechain	91.7 % (825 of 900)	92.7 % (496 of 535)	89.9 % (321 of 357)	100.0 % (8 of 8)
Aromatic	59.8 % (73 of 122)	67.2 % (41 of 61)	52.5 % (32 of 61)
Methyl	98.5 % (195 of 198)	98.0 % (97 of 99)	99.0 % (98 of 99)

1. AlgE6R3

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
6	AlgE6R3	[U-13C; U-15N]	0,15 mM
7	HEPES	natural abundance	20 mM
8	CaCl2	natural abundance	25 mM
9	D20	natural abundance	100 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
10	AlgE6R3	[U-13C; U-15N]	0,15 mM
11	HEPES	[U-2H]	20 mM
12	CaCl2	natural abundance	25 mM
13	D20	natural abundance	100 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	internal	direct	1.0
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	internal	direct	1.0

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	internal	direct	1.0
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	internal	direct	1.0

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	internal	direct	1.0
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	internal	direct	1.0

Referencing offset: -0.16 ppm, Outliers: 7 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbon	internal	direct	1.0
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	internal	direct	1.0

Referencing offset: 0.6 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2ML3, Strand ID: A Detail

Release date

2010-08-18

Citation

NMR assignments of 1H, 13C and 15N resonances of the C-terminal subunit from Azotobacter vinelandii mannuronan C5-epimerase 6 (AlgE6R3)
Buchinger, E., Skjak-Braek, G., Valla, S., Wimmer, R., Aachmann, F.L.
Biomol. NMR Assign. (2011), 5, 27-29, PubMed 20711760 , DOI 10.1007/s12104-010-9259-0 , Abstract

Related entities 1. AlgE6R3, : 1 : 1 : 24 entities Detail

Experiments performed 13 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
6	AlgE6R3	[U-13C; U-15N]	0,15 mM
7	HEPES	natural abundance	20 mM
8	CaCl2	natural abundance	25 mM
9	D20	natural abundance	100 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

4 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

5 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

6 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

7 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

8 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

9 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

10 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

11 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

12 3D HNHAHB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	AlgE6R3	[U-13C; U-15N]	0.15 mM
2	HEPES	natural abundance	20 mM
3	CaCl2	natural abundance	25 mM
4	H20	natural abundance	90 %
5	D20	natural abundance	10 %

13 2D 1H-1H NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.9

#	Name	Isotope labeling	Concentration
10	AlgE6R3	[U-13C; U-15N]	0,15 mM
11	HEPES	[U-2H]	20 mM
12	CaCl2	natural abundance	25 mM
13	D20	natural abundance	100 %

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Found 1 Document (0.925 seconds)

BMRB: 16956

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. AlgE6R3, : 1 : 1 : 24 entities Detail

Experiments performed 13 experiments Detail

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