2jbo: Difference between revisions
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|PDB= 2jbo |SIZE=350|CAPTION= <scene name='initialview01'>2jbo</scene>, resolution 3.10Å | |PDB= 2jbo |SIZE=350|CAPTION= <scene name='initialview01'>2jbo</scene>, resolution 3.10Å | ||
|SITE= <scene name='pdbsite=AC1:Po4+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:P4o+Binding+Site+For+Chain+A'>AC2</scene> | |SITE= <scene name='pdbsite=AC1:Po4+Binding+Site+For+Chain+A'>AC1</scene> and <scene name='pdbsite=AC2:P4o+Binding+Site+For+Chain+A'>AC2</scene> | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=P4O:2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE'>P4O</scene>, <scene name='pdbligand=PO4:PHOSPHATE+ION'>PO4</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/ | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY=[[1kwp|1KWP]], [[1nxk|1NXK]], [[1ny3|1NY3]], [[2jbp|2JBP]] | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2jbo FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2jbo OCA], [http://www.ebi.ac.uk/pdbsum/2jbo PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2jbo RCSB]</span> | |||
}} | }} | ||
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Structural basis for a high affinity inhibitor bound to protein kinase MK2., Hillig RC, Eberspaecher U, Monteclaro F, Huber M, Nguyen D, Mengel A, Muller-Tiemann B, Egner U, J Mol Biol. 2007 Jun 8;369(3):735-45. Epub 2007 Mar 12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17449059 17449059] | Structural basis for a high affinity inhibitor bound to protein kinase MK2., Hillig RC, Eberspaecher U, Monteclaro F, Huber M, Nguyen D, Mengel A, Muller-Tiemann B, Egner U, J Mol Biol. 2007 Jun 8;369(3):735-45. Epub 2007 Mar 12. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17449059 17449059] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Non-specific serine/threonine protein kinase]] | |||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Eberspaecher, U.]] | [[Category: Eberspaecher, U.]] | ||
[[Category: Egner, U.]] | [[Category: Egner, U.]] | ||
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[[Category: Muller-Tiemann, B.]] | [[Category: Muller-Tiemann, B.]] | ||
[[Category: Nguyen, D.]] | [[Category: Nguyen, D.]] | ||
[[Category: alternative splicing]] | [[Category: alternative splicing]] | ||
[[Category: atp site]] | [[Category: atp site]] | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:55:54 2008'' | ||
Revision as of 03:55, 31 March 2008
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| , resolution 3.10Å | |||||||
|---|---|---|---|---|---|---|---|
| Sites: | and | ||||||
| Ligands: | , | ||||||
| Activity: | Non-specific serine/threonine protein kinase, with EC number 2.7.11.1 | ||||||
| Related: | 1KWP, 1NXK, 1NY3, 2JBP
| ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
PROTEIN KINASE MK2 IN COMPLEX WITH AN INHIBITOR (CRYSTAL FORM-1, SOAKING)
OverviewOverview
The Ser/Thr protein kinase MAPKAP kinase 2 (MK2) plays a crucial role in inflammation. We determined the structure of the kinase domain of MK2 in complex with a low molecular mass inhibitor in two different crystal forms, obtained from soaking and co-crystallization. To our knowledge, these are the first structures of MK2 showing the binding mode of an inhibitor with high binding affinity (IC50 8.5 nM). The two crystal forms revealed conformational flexibility in the binding site and extend the experimental basis for rational drug design. Crystal form-1 contained one MK2 molecule per asymmetric unit. Form-2 contained 12 molecules, which arrange into two different types of MK2 trimers. One of them may serve as a model for an intermediate state during substrate phosphorylation, as each MK2 monomer places its activation segment into the substrate peptide binding groove of the trimer neighbor.
About this StructureAbout this Structure
2JBO is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
Structural basis for a high affinity inhibitor bound to protein kinase MK2., Hillig RC, Eberspaecher U, Monteclaro F, Huber M, Nguyen D, Mengel A, Muller-Tiemann B, Egner U, J Mol Biol. 2007 Jun 8;369(3):735-45. Epub 2007 Mar 12. PMID:17449059
Page seeded by OCA on Mon Mar 31 03:55:54 2008
Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Homo sapiens
- Non-specific serine/threonine protein kinase
- Single protein
- Eberspaecher, U.
- Egner, U.
- Hillig, R C.
- Huber, M.
- Mengel, A.
- Monteclaro, F.
- Muller-Tiemann, B.
- Nguyen, D.
- Alternative splicing
- Atp site
- Atp-binding
- Kinase
- Mapkap kinase 2
- Mk2
- Nucleotide-binding
- Phosphorylation
- Ser-thr kinase
- Serine/threonine-protein kinase
- Small molecule inhibitor
- Transferase