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BMRB: 15312

2JR0

Solution structure of NusB from Aquifex Aeolicus

Authors

Das, R., Loss, S., Li, J., Tarasov, S., Wingfield, P., Waugh, D.S., Byrd, R.A., Altieri, A.S.

Assembly

Aquifex NusB monomer

Entity

1. Aquifex NusB monomer (polymer, Thiol state: not present), 148 monomers, 17111.52 Da Detail

MRYRKGARDT AFLVLYRWDL RGENPGELFK EVVEEKNIKN KDAYEYAKKL VDTAVRHIEE IDSIIEKHLK GWSIDRLGYV ERNALRLGVA ELIFLKSKEP GRVFIDIVDL VKKYADEKAG KFVNGVLSAI YKAYITSSKE EKPSLKSE

Formula weight

17111.52 Da

Source organism

Aquifex aeolicus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 92.7 %, Completeness (bb): 94.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.7 % (1679 of 1811)	91.9 % (873 of 950)	93.2 % (661 of 709)	95.4 % (145 of 152)
Backbone	94.9 % (837 of 882)	95.4 % (288 of 302)	94.0 % (409 of 435)	96.6 % (140 of 145)
Sidechain	91.4 % (976 of 1068)	90.3 % (585 of 648)	93.5 % (386 of 413)	71.4 % (5 of 7)
Aromatic	89.0 % (130 of 146)	89.0 % (65 of 73)	91.5 % (65 of 71)	0.0 % (0 of 2)
Methyl	97.7 % (172 of 176)	100.0 % (88 of 88)	95.5 % (84 of 88)

1. NusB

MRYRKGARDT AFLVLYRWDL RGENPGELFK EVVEEKNIKN KDAYEYAKKL VDTAVRHIEE IDSIIEKHLK GWSIDRLGYV ERNALRLGVA ELIFLKSKEP GRVFIDIVDL VKKYADEKAG KFVNGVLSAI YKAYITSSKE EKPSLKSE

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308.15 K, pH 6.8, Details 0.7 mM Aquifex Aeolicus NusB

#	Name	Isotope labeling	Concentration
1	Aquifex NusB monomer	[U-13C; U-15N]	0.7 mM
2	potassium phosphate	natural abundance	50 mM
3	potassium chloride	natural abundance	200 mM
4	H2O	natural abundance	90 %
5	D2O		10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.677 ppm	internal	direct	1.0
¹⁵N	water	protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.677 ppm	internal	direct	1.0
¹⁵N	water	protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.48 ppm, Outliers: 2 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.677 ppm	internal	direct	1.0
¹⁵N	water	protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: 0.06 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹³C	water	protons	0.0 ppm	null	indirect	0.2514495
¹H	water	protons	4.677 ppm	internal	direct	1.0
¹⁵N	water	protons	0.0 ppm	null	indirect	0.1013291

Referencing offset: -0.76 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2JR0, Strand ID: A Detail

Release date

2007-06-17

Citation

Structural biophysics of the NusB:NusE antitermination complex
Das, R., Loss, S., Li, J., Waugh, D.S., Tarasov, S., Wingfield, P., Byrd, R.A., Altieri, A.S.
J. Mol. Biol. (2008), 376, 705-720, PubMed 18177898 , DOI 10.1016/j.jmb.2007.11.022 , Abstract

Related entities 1. Aquifex NusB monomer, : 1 : 4 : 108 entities Detail

Experiments performed 13 experiments Detail

1 3D HNCO