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BMRB: 17762

2LFJ

Solution structure of the monomeric derivative of BS-RNase

Authors

Spadaccini, R., Picone, D.

Assembly

BS-RNase

Entity

1. BS-RNase (polymer), 124 monomers, 13611.44 Da Detail

KESAAAKFER QHMDSGNSPS SSSNYCNLMM CCRKMTQGKC KPVNTFVHES LADVKAVCSQ KKVTCKDGQT NCYQSKSTMR ITDCRETGSS KYPNCAYKTT QVEKHIIVAC GGKPSVPVHF DASV

Formula weight

13611.44 Da

Source organism

Exptl. method

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 74.9 %, Completeness (bb): 83.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.9 % (1039 of 1387)	74.8 % (543 of 726)	69.4 % (368 of 530)	97.7 % (128 of 131)
Backbone	83.2 % (611 of 734)	96.4 % (240 of 249)	69.4 % (254 of 366)	98.3 % (117 of 119)
Sidechain	70.8 % (546 of 771)	63.5 % (303 of 477)	82.3 % (232 of 282)	91.7 % (11 of 12)
Aromatic	55.1 % (43 of 78)	94.9 % (37 of 39)	15.4 % (6 of 39)
Methyl	100.0 % (94 of 94)	100.0 % (47 of 47)	100.0 % (47 of 47)

1. mBS

KESAAAKFER QHMDSGNSPS SSSNYCNLMM CCRKMTQGKC KPVNTFVHES LADVKAVCSQ KKVTCKDGQT NCYQSKSTMR ITDCRETGSS KYPNCAYKTT QVEKHIIVAC GGKPSVPVHF DASV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
4	mBS	[U-100% 15N]		1 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

LACS Plot; CA

Referencing offset: 2.54 ppm, Outliers: 1 Detail

LACS Plot; CB

Referencing offset: 2.54 ppm, Outliers: 1 Detail

LACS Plot; HA

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LFJ, Strand ID: A Detail

Release date

2012-01-22

Citation

NMR studies on structure and dynamics of the monomeric derivative of BS-RNase: new insights for 3D domain swapping
Spadaccini, R., Ercole, C., Gentile, M.A., Sanfelice, D., Boelens, R., Wechselberger, R., Batta, G., Bernini, A., Niccolai, N., Picone, D.
PLoS One (2012), 7, e29076-e29076, PubMed 22253705 , DOI 10.1371/journal.pone.0029076 , Abstract

Related entities 1. BS-RNase, : 1 : 1 : 12 : 4 : 224 entities Detail

Experiments performed 9 experiments Detail

1 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

2 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

3 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

6 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
4	mBS	[U-100% 15N]		1 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

7 3D 1H-15N NOESY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
4	mBS	[U-100% 15N]		1 mM
5	H2O	natural abundance		90 %
6	D2O	natural abundance		10 %

8 3D 1H-13C NOESY aliphatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

9 2D 1H-13C HSQC aromatic

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Temperature 300 K, pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	mBS	[U-100% 13C; U-100% 15N]		1 mM
2	H2O	natural abundance		90 %
3	D2O	natural abundance		10 %

nullKeywords Protein