2jbo: Difference between revisions
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==About this Structure== | ==About this Structure== | ||
2JBO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=PO4:'>PO4</scene> and <scene name='pdbligand=P4O:'>P4O</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Known structural/functional Sites: <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>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JBO OCA]. | 2JBO is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=PO4:'>PO4</scene> and <scene name='pdbligand=P4O:'>P4O</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] Known structural/functional Sites: <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>. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JBO OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: transferase]] | [[Category: transferase]] | ||
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Revision as of 11:43, 3 February 2008
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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 with and as ligands. Active as Transferase, with EC number 2.7.11.1 Known structural/functional Sites: and . 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
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Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)
OCA- Pages with broken file links
- Homo sapiens
- Single protein
- Transferase
- Eberspaecher, U.
- Egner, U.
- Hillig, R.C.
- Huber, M.
- Mengel, A.
- Monteclaro, F.
- Muller-Tiemann, B.
- Nguyen, D.
- P4O
- PO4
- Alternative splicing
- Atp site
- Atp-binding
- Kinase
- Mapkap kinase 2
- Mk2
- Nucleotide-binding
- Phosphorylation
- Ser-thr kinase
- Serine/threonine-protein kinase
- Small molecule inhibitor