2jyo
From Proteopedia
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[[Image:2jyo.jpg|left|200px]] | [[Image:2jyo.jpg|left|200px]] | ||
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| - | + | {{STRUCTURE_2jyo| PDB=2jyo | SCENE= }} | |
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'''NMR Solution structure of Human MIP-3alpha/CCL20''' | '''NMR Solution structure of Human MIP-3alpha/CCL20''' | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2JYO is a [[Single protein]] structure | + | 2JYO is a [[Single protein]] structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2JYO OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Tack, B F.]] | [[Category: Tack, B F.]] | ||
[[Category: Vogel, H J.]] | [[Category: Vogel, H J.]] | ||
| - | [[Category: | + | [[Category: Alternative splicing]] |
| - | [[Category: | + | [[Category: Antibiotic]] |
| - | [[Category: | + | [[Category: Antimicrobial]] |
| - | [[Category: | + | [[Category: Chemokine]] |
| - | [[Category: | + | [[Category: Chemotaxis]] |
| - | [[Category: | + | [[Category: Cytokine]] |
| - | [[Category: | + | [[Category: Inflammatory response]] |
| - | [[Category: | + | [[Category: Polymorphism]] |
| - | [[Category: | + | [[Category: Protein]] |
| - | [[Category: | + | [[Category: Secreted]] |
| - | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 09:24:37 2008'' | |
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | |
Revision as of 06:24, 4 May 2008
NMR Solution structure of Human MIP-3alpha/CCL20
Overview
Human macrophage inflammatory protein-3alpha (MIP-3alpha), also known as CCL20, is a 70 amino acid chemokine which exclusively binds to chemokine receptor 6. In addition, the protein also has direct antimicrobial, antifungal, and antiviral activities. The solution structure of MIP-3alpha was solved using two dimensional homonuclear proton NMR. The structure reveals the characteristic chemokine fold with three antiparallel beta-strands followed by a C-terminal alpha-helix. In contrast to the crystal structures of MIP-3alpha, the solution structure was found to be monomeric. Another difference between the NMR and crystal structures lies in the angle of the alpha-helix with respect to the beta-strands, measuring 69 and approximately 56.5 degrees , respectively. NMR diffusion and pH titration studies reveal a distinct tendency of MIP-3alpha to form dimers at neutral pH and monomers at lower pH, dependent on the protonation state of His 40. Molecular Dynamics simulations of both the monomeric and dimeric forms of MIP-3alpha support the notion that the chemokine undergoes a change in helix angle upon dimerization and also highlight important hydrophobic and hydrogen bonding contacts made by His 40 in the dimer interface. Moreover, a constrained N-terminus and a smaller binding groove are observed in dimeric MIP-3alpha simulations, which could explain why monomeric MIP-3alpha may be more adept at receptor binding and activation. The solution structure of a synthetic peptide consisting of the last 20 residues of MIP-3alpha displays a highly amphipathic alpha-helix, reminiscent of various antimicrobial peptides. Antimicrobial assays of this peptide reveal strong and moderate bactericidal activities against Escherichia coli and Staphylococcus aureus, respectively. This confirms that the C-terminal alpha-helical region of MIP-3alpha plays a significant part in its broad anti-infective activity.
About this Structure
2JYO is a Single protein structure. Full crystallographic information is available from OCA.
Reference
Human Macrophage Inflammatory Protein-3{alpha}: Protein and Peptide NMR Solution Structures, Dimerization, Dynamics and Anti-Infective Properties., Chan DI, Hunter HN, Tack BF, Vogel HJ, Antimicrob Agents Chemother. 2007 Dec 17;. PMID:18086840 Page seeded by OCA on Sun May 4 09:24:37 2008
