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Yorodumi- PDB-2kui: NMR structure of the PASTA domain of Mycobacterium tuberculosis o... -
+Open data
-Basic information
Entry | Database: PDB / ID: 2kui | ||||||
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Title | NMR structure of the PASTA domain of Mycobacterium tuberculosis of PknB | ||||||
Components | Serine/threonine-protein kinase pknB | ||||||
Keywords | TRANSFERASE / kinase / external domain / signaling / STPK / resuscitation / Serine/threonine-protein kinase | ||||||
Function / homology | Function and homology information negative regulation of growth rate / acetyltransferase activator activity / negative regulation of catalytic activity / negative regulation of fatty acid biosynthetic process / response to host immune response / positive regulation of catalytic activity / positive regulation of DNA binding / peptidoglycan biosynthetic process / protein serine/threonine/tyrosine kinase activity / peptidoglycan-based cell wall ...negative regulation of growth rate / acetyltransferase activator activity / negative regulation of catalytic activity / negative regulation of fatty acid biosynthetic process / response to host immune response / positive regulation of catalytic activity / positive regulation of DNA binding / peptidoglycan biosynthetic process / protein serine/threonine/tyrosine kinase activity / peptidoglycan-based cell wall / negative regulation of protein binding / manganese ion binding / regulation of cell shape / protein autophosphorylation / membrane => GO:0016020 / non-specific serine/threonine protein kinase / protein kinase activity / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / ATP binding / identical protein binding / metal ion binding / plasma membrane Similarity search - Function | ||||||
Biological species | Mycobacterium tuberculosis (bacteria) | ||||||
Method | SOLUTION NMR / restrained molecular dynamics in a hydrated environment | ||||||
Model details | lowest energy, model 1 | ||||||
Authors | Barthe, P. / Mukamolova, G. / Roumestand, C. / Cohen-Gonsaud, M. | ||||||
Citation | Journal: Structure / Year: 2010 Title: The structure of PknB extracellular PASTA domain from mycobacterium tuberculosis suggests a ligand-dependent kinase activation Authors: Barthe, P. / Mukamolova, G.V. / Roumestand, C. / Cohen-Gonsaud, M. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 2kui.cif.gz | 2.4 MB | Display | PDBx/mmCIF format |
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PDB format | pdb2kui.ent.gz | 2.1 MB | Display | PDB format |
PDBx/mmJSON format | 2kui.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 2kui_validation.pdf.gz | 343.4 KB | Display | wwPDB validaton report |
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Full document | 2kui_full_validation.pdf.gz | 506.9 KB | Display | |
Data in XML | 2kui_validation.xml.gz | 134.1 KB | Display | |
Data in CIF | 2kui_validation.cif.gz | 185.1 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ku/2kui ftp://data.pdbj.org/pub/pdb/validation_reports/ku/2kui | HTTPS FTP |
-Related structure data
-Links
-Assembly
Deposited unit |
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1 |
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NMR ensembles |
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-Components
#1: Protein | Mass: 28777.094 Da / Num. of mol.: 1 / Fragment: PASTA domains 1,2,3 and 4, residues 355-626 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Mycobacterium tuberculosis (bacteria) / Strain: H37Rv / Gene: Rv0014c / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: P0A5S4, UniProt: P9WI81*PLUS, non-specific serine/threonine protein kinase |
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-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 | pH: 4.6 / Pressure: ambient / Temperature: 283 K |
-NMR measurement
NMR spectrometer |
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-Processing
NMR software | Name: CNS / Version: 1.2 / Classification: refinement |
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Refinement | Method: restrained molecular dynamics in a hydrated environment Software ordinal: 1 Details: like RECOORD database; THIS ENTRY IS BUILT FROM 3 PKNB PASTA MODULES (ENTRIES 2KUD, 2KUE AND 2KUF). |
NMR representative | Selection criteria: lowest energy |
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 30 / Conformers submitted total number: 28 / Representative conformer: 1 |