BMRBj - BMREntryMaster

Found 1 Document (5.111 seconds)

BMRB: 17249

2ML2

1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase

Authors

Andressen, T., Buchinger, E., Skjaak-Break, G., Valla, S., Aachmann, F.L.

Assembly

Entity

1. AlgE6R2 (polymer, Thiol state: not present), 161 monomers, 16536.61 Da Detail

DPSAEAQPIV GSDLDDQLHG TLLGEEISGG GGADQLYGYG GGDLLDGGAG RDRLTGGEGA DTFRFALRED SQRSAAGTFS DLILDFDPTQ DKLDVSALGF TGLGNGYAGT LAVSVSDDGT RTYLKSYETD AEGRSFEVSL QGNHAAALSA DNILFATPVP V

2. CA (non-polymer, Thiol state: not present), 40.078 Da

Total weight

16576.688 Da

Max. entity weight

16536.61 Da

Source organism

Azotobacter vinelandii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 91.9 %, Completeness (bb): 96.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.9 % (1528 of 1663)	90.4 % (763 of 844)	92.7 % (606 of 654)	96.4 % (159 of 165)
Backbone	96.4 % (922 of 956)	95.0 % (326 of 343)	97.4 % (445 of 457)	96.8 % (151 of 156)
Sidechain	87.6 % (738 of 842)	87.2 % (437 of 501)	88.3 % (293 of 332)	88.9 % (8 of 9)
Aromatic	41.5 % (49 of 118)	40.7 % (24 of 59)	42.4 % (25 of 59)
Methyl	96.6 % (170 of 176)	96.6 % (85 of 88)	96.6 % (85 of 88)

1. AlgE6R2

DPSAEAQPIV GSDLDDQLHG TLLGEEISGG GGADQLYGYG GGDLLDGGAG RDRLTGGEGA DTFRFALRED SQRSAAGTFS DLILDFDPTQ DKLDVSALGF TGLGNGYAGT LAVSVSDDGT RTYLKSYETD AEGRSFEVSL QGNHAAALSA DNILFATPVP V

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
6	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
7	calcium chloride	natural abundance	25 (±0.1) mM
8	HEPES	natural abundance	20 (±0.1) mM
9	D2O	natural abundance	100 %

Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
10	AlgE6R2	natural abundance	1.0 ~ 1.2 (±0.1) mM
11	calcium chloride	natural abundance	25 (±0.1) mM
12	HEPES	natural abundance	20 (±0.1) mM
13	D2O	natural abundance	100 %

LACS Plot; CA

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

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.19 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.18 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: 0.38 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2ML2, Strand ID: A Detail

Release date

2011-01-17

Citation

1H, 13C and 15N resonances of the AlgE62 subunit from Azotobacter vinelandii mannuronan C5-epimerase
Andreassen, T., Buchinger, E., Skjak-Braek, G., Valla, S., Aachmann, F.L.
Biomol. NMR Assign. (2011), 5, 147-149, PubMed 21188559 , DOI 10.1007/s12104-010-9288-8 , Abstract

Related entities 1. AlgE6R2, : 1 : 1 : 29 entities Detail

Experiments performed 15 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 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	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 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
6	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
7	calcium chloride	natural abundance	25 (±0.1) mM
8	HEPES	natural abundance	20 (±0.1) mM
9	D2O	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 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	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 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

5 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
10	AlgE6R2	natural abundance	1.0 ~ 1.2 (±0.1) mM
11	calcium chloride	natural abundance	25 (±0.1) mM
12	HEPES	natural abundance	20 (±0.1) mM
13	D2O	natural abundance	100 %

6 2D 1H-1H COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
10	AlgE6R2	natural abundance	1.0 ~ 1.2 (±0.1) mM
11	calcium chloride	natural abundance	25 (±0.1) mM
12	HEPES	natural abundance	20 (±0.1) mM
13	D2O	natural abundance	100 %

7 2D 1H-1H TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
10	AlgE6R2	natural abundance	1.0 ~ 1.2 (±0.1) mM
11	calcium chloride	natural abundance	25 (±0.1) mM
12	HEPES	natural abundance	20 (±0.1) mM
13	D2O	natural abundance	100 %

8 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

9 3D HBHA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

10 3D HN(CO)CA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

11 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
6	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
7	calcium chloride	natural abundance	25 (±0.1) mM
8	HEPES	natural abundance	20 (±0.1) mM
9	D2O	natural abundance	100 %

12 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
6	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
7	calcium chloride	natural abundance	25 (±0.1) mM
8	HEPES	natural abundance	20 (±0.1) mM
9	D2O	natural abundance	100 %

13 3D HBHANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

14 3D CBCANH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

15 3D HN(CA)CO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 6.9 (±0.1)

#	Name	Isotope labeling	Concentration
1	AlgE6R2	[U-98% 13C; U-98% 15N]	1.0 ~ 1.2 (±0.1) mM
2	calcium chloride	natural abundance	25 (±0.1) mM
3	HEPES	natural abundance	20 (±0.1) mM
4	H2O	natural abundance	90 %
5	D2O	natural abundance	10 %

nullKeywords A and R-module, Alginate, Mannuronan C5-Epimerases

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Found 1 Document (5.111 seconds)

BMRB: 17249

Sample #1

Sample #2

Sample #3

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. AlgE6R2, : 1 : 1 : 29 entities Detail

Experiments performed 15 experiments Detail

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