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BMRB: 15716

2ML1

1H, 15N, 13C resonance assignment of the AlgE6R1 subunit from the Azotobacter vinelandii Mannuronan C5-epimerase

Authors

Aachmann, F.L.

Assembly

AlgE6R1

Entity

1. AlgE6R1 (polymer, Thiol state: not present), 153 monomers, 15451.55 Da Detail

AQGTDGNDVL IGSDVGEQIS GGAGDDRLDG GAGDDLLDGG AGRDRLTGGL GADTFRFALR EDSHRSPLGT FSDLILDFDP SQDKIDVSAL GFIGLGNGYA GTLAVSLSAD GLRTYLKSYD ADAQGRSFEL ALDGNHAATL SAGNIVFAAA TPG

2. CA (non-polymer), 40.078 Da

Total weight

15491.628 Da

Max. entity weight

15451.55 Da

Source organism

Azotobacter vinelandii

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 91.7 %, Completeness (bb): 97.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.7 % (1427 of 1557)	92.4 % (728 of 788)	88.7 % (542 of 611)	99.4 % (157 of 158)
Backbone	97.5 % (889 of 912)	98.2 % (324 of 330)	96.3 % (416 of 432)	99.3 % (149 of 150)
Sidechain	85.9 % (662 of 771)	88.2 % (404 of 458)	82.0 % (250 of 305)	100.0 % (8 of 8)
Aromatic	25.5 % (26 of 102)	51.0 % (26 of 51)	0.0 % (0 of 51)
Methyl	97.1 % (169 of 174)	97.7 % (85 of 87)	96.6 % (84 of 87)

1. AlgE6R1

AQGTDGNDVL IGSDVGEQIS GGAGDDRLDG GAGDDLLDGG AGRDRLTGGL GADTFRFALR EDSHRSPLGT FSDLILDFDP SQDKIDVSAL GFIGLGNGYA GTLAVSLSAD GLRTYLKSYD ADAQGRSFEL ALDGNHAATL SAGNIVFAAA TPG

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.9 (±0.02)

#	Name	Isotope labeling	Concentration
1	AlgE6R1	[U-98% 13C; U-98% 15N]	0.9-1.3 (±0.1) mM
2	Calcium	natural abundance	25 (±0.5) mM
3	HEPES	natural abundance	20 (±0.5) mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 6.9 (±0.02)

#	Name	Isotope labeling	Concentration
4	AlgE6R1	[U-98% 13C; U-98% 15N]	0.9-1.3 (±0.1) mM
5	Calcium	natural abundance	25 (±0.5) mM
6	HEPES	natural abundance	20 (±0.5) mM

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: 0.47 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: 0.47 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: -0.16 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: 0.55 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2ML1, Strand ID: A Detail

Release date

2008-08-07

Citation

1H, 15N, 13C resonance assignment of the AlgE6R1 subunit from the Azotobacter vinelandii mannuronan C5-epimerase
Aachmann, F.L., Skjak-Braek, G.
Biomol. NMR Assign. (2008), 2, 123-125, PubMed 19636885 , DOI 10.1007/s12104-008-9101-0 , Abstract