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BMRB: 17650

1H, 13C, and 15N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis

Authors

Olson, A.L., Bobay, B.G., Cavanagh, J., Melander, C.

Assembly

AbrB

Entity

1. AbrB (polymer, Thiol state: all free), 94 monomers, 10550.14 Da Detail

MKSTGIVRKV DELGRVVIPI ELRRTLGIAE KDALEIYVDD EKIILKKYKP NMTCQVTGEV SDGNLFLAEG KIILSKEGAE QILNELQDYI ETAK

Formula weight

10550.14 Da

Source organism

Bacillus anthracis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.8 %, Completeness (bb): 97.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.8 % (1046 of 1115)	94.5 % (551 of 583)	93.1 % (404 of 434)	92.9 % (91 of 98)
Backbone	97.9 % (548 of 560)	98.4 % (190 of 193)	97.1 % (267 of 275)	98.9 % (91 of 92)
Sidechain	91.0 % (584 of 642)	92.6 % (361 of 390)	90.7 % (223 of 246)	0.0 % (0 of 6)
Aromatic	76.5 % (26 of 34)	100.0 % (17 of 17)	52.9 % (9 of 17)
Methyl	96.2 % (127 of 132)	100.0 % (66 of 66)	92.4 % (61 of 66)

1. ba

MKSTGIVRKV DELGRVVIPI ELRRTLGIAE KDALEIYVDD EKIILKKYKP NMTCQVTGEV SDGNLFLAEG KIILSKEGAE QILNELQDYI ETAK

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.0

#	Name	Isotope labeling	Concentration
1	ba	[U-99% 13C; U-99% 15N]	750 uM
2	DTT	natural abundance	1 mM
3	potassium phosphate	natural abundance	10 mM
4	potassium chloride	natural abundance	15 mM
5	sodium azide	natural abundance	.02 %
6	EDTA	natural abundance	1 mM
7	H2O	natural abundance	90 %
8	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -1.66 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -1.66 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.18 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.65 ppm, Outliers: 1 Detail

Release date

2011-08-18

Citation

¹H, ¹³C, and ¹⁵N resonance assignments and secondary structure prediction of the full-length transition state regulator AbrB from Bacillus anthracis
Olson, A.L., Bobay, B.G., Melander, C., Cavanagh, J.
Biomol. NMR Assign. (2012), 6, 95-98, PubMed 21845362 , DOI 10.1007/s12104-011-9333-2 , Abstract

Related entities 1. AbrB, : 3 entities Detail

Interaction partners 1. AbrB, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC