BMRB: 7256

NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415

Authors

Singarapu, K.K., Liu, G., Eletsky, A., Parish, D., Atreya, H.S., Xu, D., Janjua, H., Cunningham, K., Ma, L.C., Xiao, Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Rost, B., Montelione, G.T., Szyperski, T.

Assembly

Hydrogenase-1 operon protein hyaE

Entity

1. Hydrogenase-1 operon protein hyaE (polymer, Thiol state: not present), 140 monomers, 15954.71 Da Detail

MSNDTPFDAL WQRMLARGWT PVSESRLDDW LTQAPDGVVL LSSDPKRTPE VSDNPVMIGE LLREFPDYTW QVAIADLEQS EAIGDRFGVF RFPATLVFTG GNYRGVLNGI HPWAELINLM RGLVEPQQER ASLEHHHHHH

Formula weight

15954.71 Da

Source organism

Escherichia coli

Exptl. method

NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 86.8 %, Completeness (bb): 89.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	86.8 % (1417 of 1632)	87.3 % (738 of 845)	86.6 % (555 of 641)	84.9 % (124 of 146)
Backbone	89.9 % (737 of 820)	90.7 % (254 of 280)	89.5 % (367 of 410)	89.2 % (116 of 130)
Sidechain	84.9 % (800 of 942)	85.7 % (484 of 565)	85.3 % (308 of 361)	50.0 % (8 of 16)
Aromatic	57.3 % (94 of 164)	64.6 % (53 of 82)	49.4 % (38 of 77)	60.0 % (3 of 5)
Methyl	100.0 % (152 of 152)	100.0 % (76 of 76)	100.0 % (76 of 76)

1. Hydrogenase-1 operon protein hyaE

MSNDTPFDAL WQRMLARGWT PVSESRLDDW LTQAPDGVVL LSSDPKRTPE VSDNPVMIGE LLREFPDYTW QVAIADLEQS EAIGDRFGVF RFPATLVFTG GNYRGVLNGI HPWAELINLM RGLVEPQQER ASLEHHHHHH

Show sample condition

Sample

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	Hydrogenase-1 operon protein hyaE	[U-13C; U-15N]		0.6 mM
2	NaN3			0.02 %
3	DTT			100 mM
4	CaCl2			5 mM
5	NaCl			100 mM
6	MES			20 mM
7	H2O			95 %
8	D2O			5 %

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LACS Plot; CA

Referencing offset: -0.18 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.18 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.02 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.04 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

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

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Release date

2007-01-22

Citation

NMR structure of protein Hydrogenase-1 operon protein hyaE from Escherichia coli: Northeast Structural Genomics Consortium Target ER415
Singarapu, K.K., Liu, G., Eletsky, A., Parish, D., Atreya, H.S., Xu, D., Janjua, H., Cunningham, K., Ma, L.C., Xiao, R., Liu, J., Baran, M., Swapna, G.V.T., Acton, T.B., Montelione, G.T., Szyperski, T.

Related entities 1. Hydrogenase-1 operon protein hyaE, : 1 : 3 : 8 entities Detail

Interaction partners 1. Hydrogenase-1 operon protein hyaE, : 3 interactors Detail

Experiments performed 7 experiments Detail