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BMRB: 17892

2LYJ

NOE-based 3D structure of the CylR2 homodimer at 298K

Authors

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

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: 92.6 %, Completeness (bb): 85.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.6 % (779 of 841)	98.4 % (438 of 445)	82.9 % (266 of 321)	100.0 % (75 of 75)
Backbone	85.9 % (335 of 390)	99.2 % (129 of 130)	72.6 % (143 of 197)	100.0 % (63 of 63)
Sidechain	98.4 % (508 of 516)	98.1 % (309 of 315)	98.9 % (187 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, strand 1

MIINNLKLIR EKKKISQSEL AALLEVSRQT INGIEKNKYN PSLQLALKIA YYLNTPLEDI FQWQPE

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 298 (±0.2) K, pH 7.0 (±0.02)

#	Name	Isotope labeling	Concentration
1	CylR2, strand 1	[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 %

LACS Plot; CA

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.01 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.04 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

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 homodimer, : 1 : 9 : 2 : 58 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC