BMRB: 6227

Native and non-native conformational preferences in the urea-unfolded state of barstar

Authors

Bhavesh, N.S., Juneja, J., Udgaonkar, J.B., Hosur, R.V.

Assembly

Barstar

Entity

1. Barstar (polymer, Thiol state: all free), 90 monomers, 10342.65 Da Detail

MKKAVINGEQ IRSISDLHQT LKKELALPEY YGENLDALWD CLTGWVEYPL VLEWRQFEQS KQLTENGAES VLQVFREAKA EGCDITIILS

Formula weight

10342.65 Da

Source organism

Bacillus amyloliquefaciens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 42.2 %, Completeness (bb): 82.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	42.2 % (456 of 1081)	18.3 % (103 of 562)	63.5 % (266 of 419)	87.0 % (87 of 100)
Backbone	82.6 % (443 of 536)	51.4 % (94 of 183)	98.9 % (262 of 265)	98.9 % (87 of 88)
Sidechain	15.4 % (97 of 630)	2.4 % (9 of 379)	36.8 % (88 of 239)	0.0 % (0 of 12)
Aromatic	9.5 % (8 of 84)	9.5 % (4 of 42)	10.3 % (4 of 39)	0.0 % (0 of 3)
Methyl	6.3 % (7 of 112)	1.8 % (1 of 56)	10.7 % (6 of 56)

1. Barstar

MKKAVINGEQ IRSISDLHQT LKKELALPEY YGENLDALWD CLTGWVEYPL VLEWRQFEQS KQLTENGAES VLQVFREAKA EGCDITIILS

Show sample condition

Sample

Pressure 760 mmHg, Temperature 298 (±0.5) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	Barstar	[U-95% 13C; U-90% 15N]		1.1 mM

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LACS Plot; CA

Referencing offset: -0.23 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference #1

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
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Chemical shift reference #2

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

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LACS Plot; CB

Referencing offset: -0.23 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference #1

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
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Chemical shift reference #2

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

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LACS Plot; CO

Referencing offset: 0.03 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference #1

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
13C	DSS	methyl protons	0.0 ppm	internal	indirect	0.2514495
15N	DSS	methyl protons	0.0 ppm	internal	indirect	0.1013291

Chemical shift reference #2

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

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Protein Blocks Logo

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

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Release date

2004-12-14

Citation 1

Native and nonnative conformational preferences in the urea-unfolded state of barstar
Bhavesh, N.S., Juneja, J., Udgaonkar, J.B., Hosur, R.V.
Protein Sci. (2004), 13, 3085-3091, PubMed 15537753 , DOI 10.1110/ps.04805204 , Abstract

Show more 1 citaion

Citation 2

Atrial natriuretic factor mRNA and binding sites in the adrenal gland
Nunez, D.J., Davenport, A.P., Brown, M.J.
Biochem. J. (1990), 271, 555-558, PubMed 2146954 , DOI 10.1042/bj2710555 , Abstract

Hide non-primary 1 citaion

Related entities 1. Barstar, : 1 : 2 : 1 : 17 : 8 entities Detail

Interaction partners 1. Barstar, : 2 interactors Detail

Experiments performed 6 experiments Detail