BMRB: 16016

NMR structure of TM0212 at 40 C

Authors

Pedrini, B., Herrmann, T., Mohanty, B., Geralt, M., Wuthrich, K.

Assembly

TM0212

Entity

1. TM0212 (polymer, Thiol state: all free), 124 monomers, 13914.42 Da Detail

MKMKKYTKTH EWVSIEDKVA TVGITNHAQE QLGDVVYVDL PEVGREVKKG EVVASIESVK AAADVYAPLS GKIVEVNEKL DTEPELINKD PEGEGWLFKM EISDEGELED LLDEQAYQEF CAQE

Formula weight

13914.42 Da

Source organism

Thermotoga maritima

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 85.0 %, Completeness (bb): 84.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	85.0 % (1218 of 1433)	91.0 % (677 of 744)	74.1 % (414 of 559)	97.7 % (127 of 130)
Backbone	84.8 % (624 of 736)	98.8 % (249 of 252)	70.9 % (258 of 364)	97.5 % (117 of 120)
Sidechain	87.2 % (709 of 813)	87.0 % (428 of 492)	87.1 % (271 of 311)	100.0 % (10 of 10)
Aromatic	85.7 % (72 of 84)	100.0 % (42 of 42)	70.0 % (28 of 40)	100.0 % (2 of 2)
Methyl	100.0 % (144 of 144)	100.0 % (72 of 72)	100.0 % (72 of 72)

1. TM0212

MKMKKYTKTH EWVSIEDKVA TVGITNHAQE QLGDVVYVDL PEVGREVKKG EVVASIESVK AAADVYAPLS GKIVEVNEKL DTEPELINKD PEGEGWLFKM EISDEGELED LLDEQAYQEF CAQE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 313.0 (±0.5) K, pH 6.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	TM0212	[U-100% 13C; U-100% 15N]		2.4 (±0.2) mM
2	NaP	natural abundance		25 mM
3	NaCl	natural abundance		50 mM
4	DTT	[U-2H]		5 mM

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LACS Plot; CA

Referencing offset: -0.33 ppm, Outliers: 1 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.33 ppm, Outliers: 1 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	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.07 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
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KA7, Strand ID: A Detail

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Release date

2012-07-18

Citation

Chemical shift assignment of TM0212
Pedrini, B., Herrmann, T., Mohanty, B., Geralt, M., Wuthrich, K.
Not known

Related entities 1. TM0212, : 1 : 1 : 161 entities Detail

Experiments performed 6 experiments Detail