BMRB: 18711

TBA

Authors

Mueller, R., Kern, T., Graewert, M., Madl, T., Peschek, J., Groll, M.

Assembly

CH3CS

Entity

1. CH3CS (polymer, Thiol state: all free), 102 monomers, 11250.69 Da Detail

MGDILTFTIP PSFADIFLSK SANLTCLVSN LATYETLNIS WASQSGEPLE TKIKVMESHP NGTFSAKGVA SVSVEDWNNR KEFVCTVTHR DLPSPQKKFI SK

Formula weight

11250.69 Da

Source organism

Mus musculus

Exptl. method

solution NMR

Refine. method

ARIA

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 84.5 %, Completeness (bb): 83.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	84.5 % (1001 of 1184)	90.7 % (554 of 611)	74.5 % (348 of 467)	93.4 % (99 of 106)
Backbone	83.0 % (498 of 600)	92.1 % (186 of 202)	73.8 % (223 of 302)	92.7 % (89 of 96)
Sidechain	87.8 % (599 of 682)	90.0 % (368 of 409)	84.0 % (221 of 263)	100.0 % (10 of 10)
Aromatic	34.0 % (34 of 100)	42.0 % (21 of 50)	22.9 % (11 of 48)	100.0 % (2 of 2)
Methyl	99.1 % (113 of 114)	98.2 % (56 of 57)	100.0 % (57 of 57)

1. CH3CS

MGDILTFTIP PSFADIFLSK SANLTCLVSN LATYETLNIS WASQSGEPLE TKIKVMESHP NGTFSAKGVA SVSVEDWNNR KEFVCTVTHR DLPSPQKKFI SK

Show sample condition

Sample

Solvent system 90%H20/10% D20, 20MM PHOSHATE BUFFER, 50MM NACL, Pressure 1 atm, Temperature 298.000 K, pH 6.800, Details C mu3 0.3mM

#	Name	Isotope labeling	Type	Concentration
1	CH3CS	[U-13C; U-15N]		0.3 mM

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LACS Plot; CA

Referencing offset: -0.27 ppm, Outliers: 2 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.27 ppm, Outliers: 2 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	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.08 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
13C	DSS	methyl protons	0.0 ppm	na	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	na	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 4BA8, Strand ID: A Detail

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Release date

2013-06-09

Citation

TBA
Mueller, R., Kern, T., Graewert, M., Madl, T., Peschek, J., Groll, M.
Not known

Related entities 1. CH3CS, : 1 : 301 entities Detail

Interaction partners 1. CH3CS, : 6 interactors Detail

Experiments performed 5 experiments Detail