BMRB: 17893

NOE-based 3D structure of the CylR2 homodimer at 270K (-3 Celsius degrees)

Authors

Jaremko, M., Jaremko, L., Kim, H., Cho, M., Schwieters, C.D., Giller, K., Becker, S., Zweckstetter, M.

Assembly

CylR2 homodimer

Entity

1. CylR2 homodimer (polymer, Thiol state: not present), 66 monomers, 7715.914 × 2 Da Detail

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Total weight

15431.828 Da

Max. entity weight

7715.914 Da

Exptl. method

solution NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.6 %, Completeness (bb): 83.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	90.6 % (762 of 841)	97.1 % (432 of 445)	79.8 % (256 of 321)	98.7 % (74 of 75)
Backbone	83.6 % (326 of 390)	98.5 % (128 of 130)	69.0 % (136 of 197)	98.4 % (62 of 63)
Sidechain	96.9 % (500 of 516)	96.5 % (304 of 315)	97.4 % (184 of 189)	100.0 % (12 of 12)
Aromatic	100.0 % (46 of 46)	100.0 % (23 of 23)	100.0 % (22 of 22)	100.0 % (1 of 1)
Methyl	100.0 % (88 of 88)	100.0 % (44 of 44)	100.0 % (44 of 44)

1. CylR2 homodimer

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 270 (±0.2) K, pH 7.0 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	CylR2_homodimer	[U-100% 13C; U-100% 15N]		0.52 (±0.05) mM
2	sodium chloride	natural abundance		600 mM
3	HEPES	natural abundance		50 mM
4	H2O	natural abundance		93 %
5	D2O	natural abundance		7 %

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LACS Plot; CA

Referencing offset: 0.69 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; CB

Referencing offset: 0.69 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.07 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

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

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Release date

2013-02-14

Citation

Cold denaturation of a protein dimer monitored at atomic resolution
Jaremko, M., Jaremko, L., Kim, H., Cho, M., Schwieters, C.D., Giller, K., Becker, S., Zweckstetter, M.
Nat. Chem. Biol. (2013), 9, 264-270, PubMed 23396077 , DOI 10.1038/nchembio.1181 , Abstract

Entries sharing articles BMRB: 6 entries Detail

Related entities 1. CylR2 homodimer, : 1 : 9 : 2 : 58 entities Detail

Experiments performed 7 experiments Detail