BMRB: 6198

Backbone 1H, 13C, and 15N Chemical Shift Assignments for TM1816

Authors

Columbus, L., Peti, W., Herrmann, T., Etazady, T., Klock, H., Lesley, S., Wuthrich, K.

Assembly

TM1816 monomer

Entity

1. TM1816 monomer (polymer, Thiol state: not present), 124 monomers, 13625.18 Da Detail

MIIAIPVSEN RGKDSPISEH FGRAPYFAFV KVKNNAIADI SVEENPLAQD HVHGAVPNFV KEKGAELVIV RGIGRRAIAA FEAMGVKVIK GASGTVEEVV NQYLSGQLKD SDYEVHDHHH HEHH

Formula weight

13625.18 Da

Source organism

Thermotoga maritima

Exptl. method

NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.0 %, Completeness: 83.0 %, Completeness (bb): 89.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	83.0 % (1169 of 1409)	81.6 % (593 of 727)	84.8 % (470 of 554)	82.8 % (106 of 128)
Backbone	89.1 % (654 of 734)	89.3 % (226 of 253)	89.0 % (322 of 362)	89.1 % (106 of 119)
Sidechain	78.3 % (618 of 789)	77.4 % (367 of 474)	82.0 % (251 of 306)	0.0 % (0 of 9)
Aromatic	41.2 % (47 of 114)	43.9 % (25 of 57)	38.6 % (22 of 57)
Methyl	95.1 % (137 of 144)	95.8 % (69 of 72)	94.4 % (68 of 72)

1. TM1816

MIIAIPVSEN RGKDSPISEH FGRAPYFAFV KVKNNAIADI SVEENPLAQD HVHGAVPNFV KEKGAELVIV RGIGRRAIAA FEAMGVKVIK GASGTVEEVV NQYLSGQLKD SDYEVHDHHH HEHH

Show sample condition

Sample

Temperature 313 (±1) K, pH 6 (±0.01)

#	Name	Isotope labeling	Type	Concentration
1	TM1816	[U-15N]		4.0 mM
2	Na phosphate			20 mM

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LACS Plot; CA

Referencing offset: 0.56 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	external	direct	0.1013291
13C	DSS	methyl protons	0.0 ppm	external	direct	0.2514495

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LACS Plot; CB

Referencing offset: 0.56 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	external	direct	0.1013291
13C	DSS	methyl protons	0.0 ppm	external	direct	0.2514495

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LACS Plot; HA

Referencing offset: 0.04 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	external	direct	0.1013291
13C	DSS	methyl protons	0.0 ppm	external	direct	0.2514495

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LACS Plot; CO

Referencing offset: 1.08 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	external	direct	0.1013291
13C	DSS	methyl protons	0.0 ppm	external	direct	0.2514495

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Protein Blocks Logo

Calculated from 22 models in PDB: 1T3V, Strand ID: A Detail

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Release date

2005-08-21

Citation

NMR structure determination of the conserved hypothetical protein TM1816 from Thermotoga maritima
Columbus, L., Peti, W., Etezady-Esfarjani, T., Herrmann, T., Wuthrich, K.
Proteins (2005), 60, 552-557, PubMed 15937903 , DOI 10.1002/prot.20465 , Abstract

Related entities 1. TM1816 monomer, : 1 : 1 : 5 entities Detail

Experiments performed 1 experiments Detail