BMRB: 5104

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

MTH0637

Entity

1. MTH0637 (polymer, Thiol state: all free), 104 monomers, 11829.56 Da Detail

VITMDCLREV GDDLLVNIEV SPASGKFGIP SYNEWRKRIE VKIHSPPQKG KANREIIKEF SETFGRDVEI VSGQKSRQKT IRIQGMGRDL FLKLVSEKFG LEIP

Formula weight

11829.56 Da

Source organism

Methanothermobacter thermautotrophicus

Exptl. method

NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.6 %, Completeness (bb): 94.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	89.6 % (1129 of 1260)	91.5 % (610 of 667)	85.8 % (417 of 486)	95.3 % (102 of 107)
Backbone	94.6 % (581 of 614)	95.8 % (203 of 212)	93.7 % (284 of 303)	94.9 % (94 of 99)
Sidechain	86.2 % (639 of 741)	89.5 % (407 of 455)	80.6 % (224 of 278)	100.0 % (8 of 8)
Aromatic	28.4 % (21 of 74)	54.1 % (20 of 37)	0.0 % (0 of 36)	100.0 % (1 of 1)
Methyl	93.9 % (107 of 114)	100.0 % (57 of 57)	87.7 % (50 of 57)

1. MTH0637

VITMDCLREV GDDLLVNIEV SPASGKFGIP SYNEWRKRIE VKIHSPPQKG KANREIIKEF SETFGRDVEI VSGQKSRQKT IRIQGMGRDL FLKLVSEKFG LEIP

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	MTH0637	[U-13C; U-15N]		0.0 ~ 0.0 mM

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LACS Plot; CA

Referencing offset: -0.09 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: -0.09 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: -0.14 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
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: 0.02 ppm, Outliers: 4 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 1 models in PDB: 1JRM, 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. MTH0637, : 1 : 1 : 31 entities Detail