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BMRB: 25689

6FW4

1H, 15N and 13C resonance assignments of the C-terminal domain of the TolAIII domain of Vibrio cholerae.

Authors

Nouailler, M., Navarro, R., Bornet, O., Houot, L., LLoubes, R., Guerlesquin, F.

Assembly

TolAIII

Entity

1. TolAIII (polymer, Thiol state: all free), 128 monomers, 14085.71 Da Detail

AEFAALNDIF GSLSEESQQN NAARQQFVTS EVGRYGAIYT QLIRQNLLVE DSFRGKQCRV NLKLIPTGTG ALLGSLTVLD GDSRLCAATK RAVAQVNSFP LPKDQPDVVE KLKNINLTVA PEHHHHHH

Formula weight

14085.71 Da

Source organism

Vibrio cholerae

Exptl. method

solution NMR

Refine. method

distance geometrymolecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.4 %, Completeness: 85.5 %, Completeness (bb): 88.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.5 % (1253 of 1465)	85.9 % (652 of 759)	84.8 % (480 of 566)	86.4 % (121 of 140)
Backbone	88.9 % (674 of 758)	87.3 % (226 of 259)	89.9 % (338 of 376)	89.4 % (110 of 123)
Sidechain	83.2 % (688 of 827)	85.2 % (426 of 500)	81.0 % (251 of 310)	64.7 % (11 of 17)
Aromatic	66.7 % (60 of 90)	71.1 % (32 of 45)	62.2 % (28 of 45)
Methyl	88.6 % (140 of 158)	100.0 % (79 of 79)	77.2 % (61 of 79)

1. TolAIII

AEFAALNDIF GSLSEESQQN NAARQQFVTS EVGRYGAIYT QLIRQNLLVE DSFRGKQCRV NLKLIPTGTG ALLGSLTVLD GDSRLCAATK RAVAQVNSFP LPKDQPDVVE KLKNINLTVA PEHHHHHH

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.9

#	Name	Isotope labeling	Concentration
1	TolAIII	natural abundance	1 (±0.2) mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %
4	NaCl	natural abundance	50 mM
5	NaPo4	natural abundance	50 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 6.9

#	Name	Isotope labeling	Concentration
6	TolAIII	[U-100% 13C; U-100% 15N]	0.6 (±0.2) mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.58 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.58 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	4.7 ppm	internal	indirect	0.2514495
¹H	water	protons	4.7 ppm	internal	direct	1.0
¹⁵N	water	protons	4.7 ppm	internal	indirect	0.1013291

Referencing offset: 0.23 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6FW4, Strand ID: A Detail

Release date

2016-10-31

Citation

(1)H, (15)N and (13)C resonance assignments of the C-terminal domain of Vibrio cholerae TolA protein
Navarro, R., Bornet, O., Houot, L., LLoubes, R., Guerlesquin, F., Nouailler, M.
Biomol. NMR Assign. (2016), 10, 311-313, PubMed 27436120 , DOI 10.1007/s12104-016-9690-y , Abstract

Related entities 1. TolAIII, : 1 : 6 entities Detail

Experiments performed 16 experiments Detail

1 2D 1H-15N HSQC