- PDB-2k36: Structure ensemble Backbone and side-chain 1H, 13C, and 15N Chemi... -
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Basic information
Entry
Database: PDB / ID: 2k36
Title
Structure ensemble Backbone and side-chain 1H, 13C, and 15N Chemical Shift Assignments, 1H-15N RDCs and 1H-1H nOe restraints for protein K7 from the Vaccinia virus
Components
Protein K7
Keywords
VIRAL PROTEIN / PROTEIN
Function / homology
Function and homology information
protein sequestering activity / symbiont-mediated suppression of host cytoplasmic pattern recognition receptor signaling pathway via inhibition of IRF3 activity / host cell cytoplasm / virus-mediated perturbation of host defense response Similarity search - Function
structures with the lowest energy (tangled structures excluded)
Representative
Model #1
lowest energy
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Components
#1: Protein
ProteinK7
Mass: 17488.900 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Vaccinia virus / Strain: WR Western Reserve / WR Description: the pET15 vector was modified to replace the thrombin cleavage site with an rTEV cleavage site Gene: K7R / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) / References: UniProt: P68466
Method: simulated annealing, simulated annealing / Software ordinal: 1 Details: PASD/MARVIN with TALOS restraints with p>= 0.9 carried over to Aria 2.1 refinement calculation, Aria 2.1 with TALOS nOe and RDC (VEAN/SANI) restraints All cooling steps exended by a factor of 4 from defaults
NMR representative
Selection criteria: lowest energy
NMR ensemble
Conformer selection criteria: structures with the lowest energy (tangled structures excluded) Conformers calculated total number: 500 / Conformers submitted total number: 15
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