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BMRB: 6929

2FGX

1H, 13C, and 15N Chemical Shift Assignments for Nitrosomonas Europaea Protein Ne2328: Northeast Structural Genomics Consortium target NeT3

Authors

Eletsky, A., Liu, G., Yee, A., Arrowsmith, C., Szyperski, T.

Assembly

NeT3 monomer

Entity

1. NeT3 monomer (polymer, Thiol state: all free), 107 monomers, 12503.95 Da Detail

MGTSHHHHHH SSGRENLYFQ GHMNNQVEPR KLVVYGREGC HLCEEMIASL RVLQKKSWFE LEVINIDGNE HLTRLYNDRV PVLFAVNEDK ELCHYFLDSD VIGAYLS

Formula weight

12503.95 Da

Source organism

Nitrosomonas europaea

Exptl. method

NMR

Refine. method

simulated annealing, torsion angle dynamics, explicit water bath refinement

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 75.7 %, Completeness: 72.2 %, Completeness (bb): 71.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.2 % (914 of 1266)	74.2 % (487 of 656)	70.0 % (346 of 494)	69.8 % (81 of 116)
Backbone	71.3 % (455 of 638)	71.7 % (157 of 219)	71.3 % (224 of 314)	70.5 % (74 of 105)
Sidechain	73.5 % (535 of 728)	75.5 % (330 of 437)	70.7 % (198 of 280)	63.6 % (7 of 11)
Aromatic	47.0 % (62 of 132)	59.1 % (39 of 66)	33.8 % (22 of 65)	100.0 % (1 of 1)
Methyl	92.7 % (102 of 110)	94.5 % (52 of 55)	90.9 % (50 of 55)

1. NeT3

MGTSHHHHHH SSGRENLYFQ GHMNNQVEPR KLVVYGREGC HLCEEMIASL RVLQKKSWFE LEVINIDGNE HLTRLYNDRV PVLFAVNEDK ELCHYFLDSD VIGAYLS

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	NeT3	[U-95% 13C; U-90% 15N]	0.6 ~ 1.0 mM
2	MOPS buffer		10 mM
3	NaCl		450 mM
4	DTT		10 mM
5	benzamidine		1 mM
6	NaN3		0.01 %

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: 0.23 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: 0.23 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: -0.05 ppm, Outliers: 3 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: 0.13 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2006-04-04

Citation

Primary sequence and solution conformation of ferrocytochrome c-552 from Nitrosomonas europaea
Eletsky, A., Liu, G., Yee, A., Arrowsmith, C., Szyperski, T.
Biophys. J. (1998), 75, 1964-1972, PubMed 9746537 , DOI 10.1016/S0006-3495(98)77637-4 , Abstract

Related entities 1. NeT3 monomer, : 1 : 1 entities Detail

Experiments performed 12 experiments Detail

1 1H15N_HSQC