Mass: 2906.115 Da / Num. of mol.: 1 / Fragment: part of activation domain Source method: isolated from a genetically manipulated source Source: (gene. exp.) Herpes simplex virus (type 1 / strain 17) Genus: Simplexvirus / Species: Human herpesvirus 1 / Strain: 17 / Gene: UL48 / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3)pLysS / References: UniProt: P06492
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Experimental details
-
Experiment
Experiment
Method: SOLUTION NMR
NMR experiment
Conditions-ID
Experiment-ID
Solution-ID
Type
1
1
1
15N-HSQCs
2
2
2
13C-HN(CA)CB
1
3
1
13C-HNCO
2
4
2
15N-NOESY-HSQC
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Sample preparation
Details
Solution-ID
Contents
Solvent system
1
0.2 mM VP16ad U-15N or U15N,13C, 0-0.5 mM PC4 or PC4ctd, 50 or 400 mM KCl, 50 mM phosphate buffer pH 5.6, 2 M D6-Glycine, H2O
H2O
2
0.2 mM PC4 or PC4ctd U-15N, 0-0.5 mM VP16ad, 50 or 400 mM KCl, 50 mM phosphate buffer pH 5.6, 2 M D6-Glycine, H2O
H2O
Sample conditions
Conditions-ID
Ionic strength
pH
Pressure (kPa)
Temperature (K)
1
100-450 mM
5.6
1atm
298K
2
100-450 mM
5.6
1atm
305K
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NMR measurement
Radiation
Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M
Radiation wavelength
Relative weight: 1
NMR spectrometer
Type
Manufacturer
Model
Field strength (MHz)
Spectrometer-ID
Bruker AVANCE
Bruker
AVANCE
500
1
Bruker AVANCE
Bruker
AVANCE
600
2
Bruker AVANCE
Bruker
AVANCE
750
3
Varian INOVA
Varian
INOVA
500
4
Varian INOVA
Varian
INOVA
750
5
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Processing
NMR software
Name
Version
Developer
Classification
XwinNMR
3.x
BrukerBiospin
collection
VNMR
1
VarianInc.
collection
NMRPipe
2.4
Delaglioetal.
processing
Sparky
3.11
Goddardetal.
dataanalysis
CNS
1.1
Brungeretal.
structuresolution
HADDOCK
1.2
Dominguezetal.
refinement
Refinement
Method: The model was calculated using HADDOCK / Software ordinal: 1 Details: The structure represents a docking model. The starting structure for PC4 was taken from the PDB entry 1PCF.
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: Top-ranked ensemble, according to the average interaction energy and buried surface area Conformers calculated total number: 200 / Conformers submitted total number: 10
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