BMRB: 16610

Solution structure of the N-terminal domain (residues 1-111) of Brugia malayi asparaginyl-tRNA synthetase

Authors

Volkman, B.F., Peterson, F.C., Kron, M.A.

Assembly

AsnRS

Entity

1. AsnRS (polymer, Thiol state: all free), 113 monomers, 12647.42 Da Detail

GSMTVYICPE TGDDGNDGSE LKPLRTLYQA MIITKSSKGD FLIRTKKDGK QVWEAASKTA LKKSWKRYEQ EMLKNEKVAA KMLEKDATEV GVKAALEEAK KVQIELDTSL SYI

Formula weight

12647.42 Da

Source organism

Brugia malayi

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.9 %, Completeness (bb): 99.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.9 % (1292 of 1333)	97.6 % (682 of 699)	95.3 % (491 of 515)	100.0 % (119 of 119)
Backbone	99.1 % (668 of 674)	99.1 % (229 of 231)	98.8 % (328 of 332)	100.0 % (111 of 111)
Sidechain	93.7 % (717 of 765)	95.1 % (445 of 468)	91.3 % (264 of 289)	100.0 % (8 of 8)
Aromatic	65.2 % (43 of 66)	78.8 % (26 of 33)	48.4 % (15 of 31)	100.0 % (2 of 2)
Methyl	100.0 % (124 of 124)	100.0 % (62 of 62)	100.0 % (62 of 62)

1. AsnRS

GSMTVYICPE TGDDGNDGSE LKPLRTLYQA MIITKSSKGD FLIRTKKDGK QVWEAASKTA LKKSWKRYEQ EMLKNEKVAA KMLEKDATEV GVKAALEEAK KVQIELDTSL SYI

Show sample condition

Sample

Solvent system 90% H2O, 10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1.0 mM BmAsnRS(1-111) U-15N/13C, 20 mM sodium phosphate, 50 mM sodium chloride

#	Name	Isotope labeling	Type	Concentration
1	AsnRS	[U-100% 13C; U-100% 15N]		1 mM
2	sodium phosphate	natural abundance		20 mM
3	sodium chloride	natural abundance		50 mM
4	sodium azide	natural abundance		0.02 %
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

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LACS Plot; CA

Referencing offset: -0.27 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.27 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.04 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.11 ppm, Outliers: 2 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2012-08-02

Related entities 1. AsnRS, : 1 : 14 entities Detail

Experiments performed 3 experiments Detail