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Yorodumi- PDB-6zpr: Solution structure of MLKL executioner domain in complex with a c... -
+Open data
-Basic information
Entry | Database: PDB / ID: 6zpr | ||||||
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Title | Solution structure of MLKL executioner domain in complex with a covalent inhibitor | ||||||
Components | Mixed lineage kinase domain-like protein,Mixed lineage kinase domain-like protein | ||||||
Keywords | LIPID BINDING PROTEIN / Necroptosis | ||||||
Function / homology | Function and homology information execution phase of necroptosis / Microbial modulation of RIPK1-mediated regulated necrosis / necroptotic signaling pathway / TRP channels / RIPK1-mediated regulated necrosis / protein homotrimerization / necroptotic process / Regulation of necroptotic cell death / cell junction / defense response to virus ...execution phase of necroptosis / Microbial modulation of RIPK1-mediated regulated necrosis / necroptotic signaling pathway / TRP channels / RIPK1-mediated regulated necrosis / protein homotrimerization / necroptotic process / Regulation of necroptotic cell death / cell junction / defense response to virus / cell surface receptor signaling pathway / protein-containing complex binding / protein kinase binding / ATP binding / identical protein binding / nucleus / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | Homo sapiens (human) | ||||||
Method | SOLUTION NMR / torsion angle dynamics | ||||||
Authors | Ruebbelke, M. / Bauer, M. / Hamilton, J. / Binder, F. / Nar, H. / Zeeb, M. | ||||||
Citation | Journal: Proc.Natl.Acad.Sci.USA / Year: 2020 Title: Locking mixed-lineage kinase domain-like protein in its auto-inhibited state prevents necroptosis. Authors: Rubbelke, M. / Fiegen, D. / Bauer, M. / Binder, F. / Hamilton, J. / King, J. / Thamm, S. / Nar, H. / Zeeb, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6zpr.cif.gz | 1.1 MB | Display | PDBx/mmCIF format |
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PDB format | pdb6zpr.ent.gz | 1 MB | Display | PDB format |
PDBx/mmJSON format | 6zpr.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6zpr_validation.pdf.gz | 482.9 KB | Display | wwPDB validaton report |
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Full document | 6zpr_full_validation.pdf.gz | 635.6 KB | Display | |
Data in XML | 6zpr_validation.xml.gz | 73.8 KB | Display | |
Data in CIF | 6zpr_validation.cif.gz | 81.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/zp/6zpr ftp://data.pdbj.org/pub/pdb/validation_reports/zp/6zpr | HTTPS FTP |
-Related structure data
Related structure data | 6zleC 6zvoC 6zz1C C: citing same article (ref.) |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 18184.961 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Details: LIG = Cys86 covalently labelled with compound,LIG = Cys86 covalently labelled with compound Source: (gene. exp.) Homo sapiens (human) / Gene: MLKL / Production host: Escherichia coli (E. coli) / References: UniProt: Q8NB16 |
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#2: Chemical | ChemComp-QOK / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
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NMR experiment |
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-Sample preparation
Details |
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Sample |
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Sample conditions |
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-NMR measurement
NMR spectrometer |
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-Processing
NMR software |
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Refinement | Method: torsion angle dynamics / Software ordinal: 2 | ||||||||||||||||||||||||
NMR representative | Selection criteria: target function | ||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 |