BMRB: 6359

Assigned chemical shift for YGGX

Authors

Cui, Q., Westler, W.M., Markley, J.L., Thorgersen, M.P., Downs, D.M.

Assembly

YGGX

Entity

1. YGGX (polymer, Thiol state: all free), 91 monomers, 10899.30 Da Detail

MSRTIFCTYL QRDAEGQDFQ LYPGELGKRI YNEISKDAWA QWQHKQTMLI NEKKLNMMNA EHRKLLEQEM VSFLFEGKDV HIEGYTPEDK K

Formula weight

10899.3 Da

Source organism

Salmonella enterica

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 82.5 %, Completeness (bb): 95.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.5 % (937 of 1136)	81.4 % (489 of 601)	80.6 % (349 of 433)	97.1 % (99 of 102)
Backbone	95.6 % (518 of 542)	96.2 % (178 of 185)	94.8 % (254 of 268)	96.6 % (86 of 89)
Sidechain	73.8 % (502 of 680)	74.8 % (311 of 416)	70.9 % (178 of 251)	100.0 % (13 of 13)
Aromatic	24.1 % (26 of 108)	44.4 % (24 of 54)	0.0 % (0 of 52)	100.0 % (2 of 2)
Methyl	82.9 % (63 of 76)	84.2 % (32 of 38)	81.6 % (31 of 38)

1. YGGX

MSRTIFCTYL QRDAEGQDFQ LYPGELGKRI YNEISKDAWA QWQHKQTMLI NEKKLNMMNA EHRKLLEQEM VSFLFEGKDV HIEGYTPEDK K

Show sample condition

Sample

Temperature 283 (±0.1) K, pH 7.8 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	YGGX	[U-13C; U-15N]		19.3 mg/mL
2	Tris	[U-2H]		10 mM
3	D2O			10 %
4	H2O			90 %

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LACS Plot; CA

Referencing offset: -0.53 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.53 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: 0.03 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
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.23 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 20 models in PDB: 1XS8, Strand ID: A Detail

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Release date

2007-01-28

Citation

Solution structure of YggX: a prokaryotic protein involved in Fe(II) trafficking
Cui, Q., Thorgersen, M.P., Westler, W.M., Markley, J.L., Downs, D.M.
Proteins (2006), 62, 578-586, PubMed 16329120 , DOI 10.1002/prot.20781 , Abstract

Related entities 1. YGGX, : 1 : 1 : 3 : 102 entities Detail

Interaction partners 1. YGGX, : 3 interactors Detail