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BMRB: 19143

2M6K

Solution structure of the Escherichia coli apo ferric enterobactin binding protein

Authors

Chu, B.C., Otten, R., Krewulak, K.D., Mulder, F.A., Vogel, H.J.

Assembly

FepB

Entity

1. FepB (polymer, Thiol state: not present), 315 monomers, 34372.23 Da Detail

MGHHHHHHHH HHSGHIDDDD KHMADWPRQI TDSRGTHTLE SQPQRIVSTS VTLTGSLLAI DAPVIASGAT TPNNRVADDQ GFLRQWSKVA KERKLQRLYI GEPSAEAVAA QMPDLILISA TGGDSALALY DQLSTIAPTL IINYDDKSWQ SLLTQLGEIT GHEKQAAERI AQFDKQLAAA KEQIKLPPQP VTAIVYTAAA HSANLWTPES AQGQMLEQLG FTLAKLPAGL NASQSQGKRH DIIQLGGENL AAGLNGESLF LFAGDQKDAD AIYANPLLAH LPAVQNKQVY ALGTETFRLD YYSAMQVLDR LKALF

Formula weight

34372.23 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 95.2 %, Completeness: 46.1 %, Completeness (bb): 79.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	46.1 % (1644 of 3569)	24.2 % (445 of 1839)	66.0 % (918 of 1391)	82.9 % (281 of 339)
Backbone	79.6 % (1483 of 1862)	52.0 % (331 of 637)	94.6 % (874 of 924)	92.4 % (278 of 301)
Sidechain	21.9 % (439 of 2001)	9.5 % (114 of 1202)	42.3 % (322 of 761)	7.9 % (3 of 38)
Aromatic	4.8 % (12 of 250)	6.4 % (8 of 125)	3.3 % (4 of 121)	0.0 % (0 of 4)
Methyl	26.6 % (102 of 384)	17.2 % (33 of 192)	35.9 % (69 of 192)

1. FepB

Show sample condition

Sample #1

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
1	FepB	natural abundance	0.0 ~ 0.0 mM
2	H2O	natural abundance	93 %
3	D2O	natural abundance	7 %

Sample #2

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
4	FepB	natural abundance	0.0 ~ 0.0 mM
5	H2O	natural abundance	93 %
6	D2O	natural abundance	7 %

Sample #3

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 K, pH 6.4

#	Name	Isotope labeling	Concentration
7	FepB	natural abundance	0.0 ~ 0.0 mM
8	H2O	natural abundance	93 %
9	D2O	natural abundance	7 %

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: -0.18 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: -0.18 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: -0.03 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2M6K, Strand ID: A Detail

Release date

2014-04-27

Citation

The solution structure, binding properties, and dynamics of the bacterial siderophore-binding protein FepB
Chu, B.C.H., Otten, R., Krewulak, K.D., Mulder, F.A.A., Vogel, H.J.
J. Biol. Chem. (2014), 289, 29219-29234, PubMed 25173704 , DOI 10.1074/jbc.M114.564021 , Abstract

Related entities 1. FepB, : 1 : 3 : 47 entities Detail

Experiments performed 8 experiments Detail

1 3D 1H-15N NOESY