BMRB: 5106

An NMR Approach to Structural Proteomics

Authors

Yee, A., Chang, X., Pineda-Lucena, A., Wu, B., Semesi, A., Le, B., Ramelot, T., Lee, G.M., Bhattacharyya, S., Gutierrez, P., Denisov, A., Lee, C., Cort, J.R., Kozlov, G., Liao, J., Finak, G., Chen, L., Wishart, D., Lee, W., McIntosh, L.P., Gehring, K., Kennedy, M.A., Edwards, A.M., Arrowsmith, C.H.

Assembly

MTH1743

Entity

1. MTH1743 (polymer, Thiol state: not present), 70 monomers, 7755.993 Da Detail

MVIGMKFTVI TDDGKKILES GAPRRIKDVL GELEIPIETV VVKKNGQIVI DEEEIFDGDI IEVIRVIYGG

Formula weight

7755.993 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

torsion angle dyanmics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.4 %, Completeness (bb): 97.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.4 % (777 of 823)	95.8 % (409 of 427)	92.3 % (301 of 326)	95.7 % (67 of 70)
Backbone	97.4 % (405 of 416)	97.9 % (143 of 146)	97.0 % (196 of 202)	97.1 % (66 of 68)
Sidechain	92.3 % (433 of 469)	94.7 % (266 of 281)	89.2 % (166 of 186)	50.0 % (1 of 2)
Aromatic	35.7 % (10 of 28)	71.4 % (10 of 14)	0.0 % (0 of 14)
Methyl	98.1 % (106 of 108)	100.0 % (54 of 54)	96.3 % (52 of 54)

1. MTH1743

MVIGMKFTVI TDDGKKILES GAPRRIKDVL GELEIPIETV VVKKNGQIVI DEEEIFDGDI IEVIRVIYGG

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	MTH1743	[U-13C; U-15N]		0.0 ~ 0.0 mM

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LACS Plot; CA

Referencing offset: -0.19 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CB

Referencing offset: -0.19 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; HA

Referencing offset: -0.08 ppm, Outliers: 5 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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LACS Plot; CO

Referencing offset: 0.43 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
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495

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Protein Blocks Logo

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

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Release date

2002-04-07

Citation

An NMR approach to structural proteomics
Yee, A., Chang, X., Pineda-Lucena, A., Wu, B., Semesi, A., Le, B., Ramelot, T., Lee, G.M., Bhattacharyya, S., Gutierrez, P., Denisov, A., Lee, C., Cort, J.R., Kozlov, G., Liao, J., Finak, G., Chen, L., Wishart, D., Lee, W., McIntosh, L.P., Gehring, K., Kennedy, M.A., Edwards, A.M., Arrowsmith, C.H.
Proc. Natl. Acad. Sci. U. S. A. (2002), 99, 1825-1830, PubMed 11854485 , DOI 10.1073/pnas.042684599 , Abstract

Related entities 1. MTH1743, : 1 : 26 entities Detail

Experiments performed 9 experiments Detail