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BMRB: 17962

2LJU

Solution structure of putative oxidoreductase from Ehrlichia chaffeensis. (Seattle Structural Genomics Center for Infectious Disease (SSGCID))

Authors

Yang, F., Barnwal, R., Varani, G.

Assembly

putative oxidoreductase from Ehrlichia chaffeensis

Entity

1. putative oxidoreductase from Ehrlichia chaffeensis (polymer, Thiol state: all free), 104 monomers, 11998.54 Da Detail

MQEQVSNVRA RIYKPAKSTM QSGHSKLKAW KLEFEPSCTQ YTEPLMNWTG SHDTKQQVCL SFTTRELAIA YAVAHKIDYT VLQDNPRTIV PKSYADNFTK PRDM

Formula weight

11998.54 Da

Source organism

Ehrlichia chaffeensis

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 72.4 %, Completeness (bb): 91.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.4 % (900 of 1243)	63.4 % (412 of 650)	80.3 % (387 of 482)	91.0 % (101 of 111)
Backbone	91.8 % (562 of 612)	85.8 % (175 of 204)	95.5 % (296 of 310)	92.9 % (91 of 98)
Sidechain	59.5 % (436 of 733)	53.1 % (237 of 446)	69.0 % (189 of 274)	76.9 % (10 of 13)
Aromatic	37.7 % (40 of 106)	47.2 % (25 of 53)	25.5 % (13 of 51)	100.0 % (2 of 2)
Methyl	79.0 % (79 of 100)	76.0 % (38 of 50)	82.0 % (41 of 50)

1. putative oxidoreductase from Ehrlichia chaffeensis

MQEQVSNVRA RIYKPAKSTM QSGHSKLKAW KLEFEPSCTQ YTEPLMNWTG SHDTKQQVCL SFTTRELAIA YAVAHKIDYT VLQDNPRTIV PKSYADNFTK PRDM

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	oxidoreductase	[U-95% 15N]	0.5 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM
4	DTT	natural abundance	1 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
7	oxidoreductase	[U-95% 13C; U-95% 15N]	0.5 mM
8	potassium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	100 mM
10	DTT	natural abundance	1 mM
11	H2O	natural abundance	90 %
12	D2O	natural abundance	10 %

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: 0.35 ppm, Outliers: 1 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: 0.35 ppm, Outliers: 1 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: 0.04 ppm, Outliers: 1 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: 0.46 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2011-10-25

Citation

Solution structure of putative oxidoreductase from Ehrlichia chaffeensis
Yang, F., Barnwal, R., Varani, G.
Not known

Related entities 1. putative oxidoreductase from Ehrlichia chaffeensis, : 1 : 36 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC