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PDB | 2LYS | NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees)

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Internal ID
44245
PDB Entry ID
2LYS
Title
NOE-based 3D structure of the monomeric partially-folded intermediate of CylR2 at 257K (-16 Celsius degrees)
Authors
Jaremko, M.,Jaremko, L.,Kim, H.,Cho, M.,Schwieters, C.D.,Giller, K.,Becker, S.,Zweckstetter, M.
Primary Citation
AuthorsJaremko, M., Jaremko, L., Kim, H.Y., Cho, M.K., Schwieters, C.D., Giller, K., Becker, S., Zweckstetter, M.
TitleCold denaturation of a protein dimer monitored at atomic resolution.
JournalNat.Chem.Biol., v.9, pp.264 - 270, 2013
AbstractView
Pubmed23396077
DOI10.1038/nchembio.1181
 
History
Deposition: 2012-09-19Release: 2013-02-20Last Modified: 2013-04-03
Experimental Method
TypeSOLUTION NMR
Unit Cell
Length [Å]abc
Angles [°]alphabetagamma
NMR Ensemble
Conformers Calculated200Conformers Submitted20Selection Criteriastructures with the lowest energy
NMR Refine
MethodSIMULATED ANNEALING
Molecular Description
PolymerMoleculeMutationFragmentChainsEC NumberOther details
1CylR2A
Functional Class
Source
PolymerScientific NameCommon NameExpression System
1Enterococcus faecalisEscherichia coli
Related PDB Entries
SCOP Classification
CATH Classification
Structural Details
KeywordDNA binding protein
TextCylR2, DNA binding protein, NOE-based structure, protein folding, cold denaturation, cytolysin repressor 2, helix-turn-helix, partially folded
 
Polymeric Molecules
Chain A
DescriptionCylR2
Polymer typepolypeptide
Formula Weight7725.1
Source Methodgenetically manipulated
Entity NamePutative transcription regulator
Entity Name Sysn/a
 
Entity Poly
EntityChiralityLinkageMonomer# Mon.StrandTypeDetails
1n/anonon/aApolypeptide(L)n/a
Natural/Genetically Modified Source
Scientific NameEnterococcus faecalis
Source Genusn/a
GenecylR2
Host Common Namen/a
Host Scientific NameEscherichia coli
Host Genusn/a
Host Cell Linen/a
Host StrainBl21(DE3)
Host Vector Typeplasmid
Host PlasmidPET32A
 
Unit Cell
Length a (Å)Length b Å)Length c (Å)
Angle Alpha (°)Angle Beta (°)Angle Gamma (°)
Spectrometer Info
Field StrengthManufacturerModel
700BrukerAvance III
Sample Conditions
Sample ContentsSolvent SystemIonic StrengthpHPressurePressure UnitsTemperature
0.52 mM [U-100% 13C; U-100% 15N] CylR2, 600 mM sodium chloride, 50 mM HEPES, 93 % H2O, 7 % D2O, 93% H2O/7% D2O93% H2O/7% D2O0.67.0ambientn/a257
NMR Software
Author(s)ClassificationSoftware Name
Guntert, Mumenthaler and Wuthrichstructure solutionCYANA
Schwieters, Kuszewski, Tjandra and ClorerefinementX-PLOR_NIH
Goddardchemical shift assignmentSPARKY
Goddardpeak pickingSPARKY
Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and BaxprocessingNMRPipe
NMR Ensemble Information
Conformers Calculated Total Number200
Conformers Submitted Total Number20
Conformer Selection Criteria structures with the lowest energy
 
NMR Refinement Information
MethodDetails
SIMULATED ANNEALINGn/a
NMR Exptl Information
Conditions IDExperiment IDSolution IDType
1112D 1H-15N HSQC
1212D 1H-13C HSQC aliphatic
1313D 1H-13C NOESY aliphatic
1413D HCCH-TOCSY
1512D 1H-13C HSQC aromatic
Sequence Chain
A
Sequence
 1   MIINNLKLIR  EKKKISQSEL  AALLEVSRQT  INGIEKNKYN  PSLQLALKIA  YYLNTPLEDI

61   FQWQPE