BMRB: 17895

NOE-based 3D structure of the monomer of CylR2 in equilibrium with predissociated homodimer at 266K (-7 Celsius degrees)

Authors

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

Assembly

CylR2

Entity

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

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Formula 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: 76.8 %, Completeness (bb): 73.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	76.8 % (646 of 841)	80.9 % (360 of 445)	66.7 % (214 of 321)	96.0 % (72 of 75)
Backbone	73.1 % (285 of 390)	89.2 % (116 of 130)	54.8 % (108 of 197)	96.8 % (61 of 63)
Sidechain	78.7 % (406 of 516)	77.5 % (244 of 315)	79.9 % (151 of 189)	91.7 % (11 of 12)
Aromatic	87.0 % (40 of 46)	87.0 % (20 of 23)	90.9 % (20 of 22)	0.0 % (0 of 1)
Methyl	97.7 % (86 of 88)	97.7 % (43 of 44)	97.7 % (43 of 44)

1. CylR2

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

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Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 266 (±0.2) K, pH 7.0 (±0.02)

#	Name	Isotope labeling	Type	Concentration
1	CylR2	[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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Protein Blocks Logo

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

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

Experiments performed 7 experiments Detail