BMRB: 5797

Solution structure of the hypothetical protein TA1414 from Thermoplasma acidophilum

Authors

Monleon, D., Yee, A., Arrowsmith, C., Celda, B.

Assembly

Hypothetical protein ta1414

Entity

1. Hypothetical protein ta1414 (polymer, Thiol state: all free), 98 monomers, 10845.29 Da Detail

MGSSHHHHHH SSGLVPRGSH MDVKPDRVID ARGSYCPGPL MELIKAYKQA KVGEVISVYS TDAGTKKDAP AWIQKSGQEL VGVFDRNGYY EIVMKKVK

Formula weight

10845.29 Da

Source organism

Thermoplasma acidophilum

Exptl. method

NMR

Refine. method

Initial manual assignment of unambiguous NOEs. Further assignment of spectra by NOAH routine at DYANA.

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 79.6 %, Completeness: 60.6 %, Completeness (bb): 78.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	60.6 % (682 of 1125)	64.6 % (379 of 587)	52.3 % (230 of 440)	74.5 % (73 of 98)
Backbone	78.2 % (452 of 578)	78.1 % (157 of 201)	78.2 % (222 of 284)	78.5 % (73 of 93)
Sidechain	47.4 % (301 of 635)	57.5 % (222 of 386)	32.4 % (79 of 244)	0.0 % (0 of 5)
Aromatic	11.1 % (10 of 90)	17.8 % (8 of 45)	4.5 % (2 of 44)	0.0 % (0 of 1)
Methyl	46.7 % (43 of 92)	78.3 % (36 of 46)	15.2 % (7 of 46)

1. ta1414

MGSSHHHHHH SSGLVPRGSH MDVKPDRVID ARGSYCPGPL MELIKAYKQA KVGEVISVYS TDAGTKKDAP AWIQKSGQEL VGVFDRNGYY EIVMKKVK

Show sample condition

Sample

Temperature 298 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	ta1414	[U-13C; U-15N]		1.0 ~ 2.0 mM

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LACS Plot; CA

Referencing offset: -0.42 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: -0.42 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: 0.0 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
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: -0.64 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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Protein Blocks Logo

Calculated from 10 models in PDB: 1PAV, Strand ID: A Detail

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Release date

2004-02-10

Citation

Solution structure of hypothetical protein TA1414 from Thermoplasma acidophilum
Monleon, D., Yee, A., Liu, C., Arrowsmith, C., Celda, B.
J. Biomol. NMR (2004), 28, 81-84, PubMed 14739641 , DOI 10.1023/B:JNMR.0000012862.33577.74 , Abstract

Related entities 1. Hypothetical protein ta1414, : 1 : 11 entities Detail